Category: 1417036-28-2

On October 4, 2018, Stoessel, Philipp; Auch, Armin; May, Falk; Pfister, Jochen published a patent.Safety of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane The title of the patent was Cyclometalated hexadentate arylpyridine metal complexes as components for light-emitting layers of organic electroluminescent devices. And the patent contained the following:

Iridium complexes, comprising cyclometalated hexadentate arylpyridine ligands, [Ir(L1L2L3Y)] (1, Y = bridging moiety, L1-L3 = cyclometalated arylpyridinyl, pyridynylaryl), e.g. complex I, were prepared by cyclometalation of the corresponding ligands, modification of the prepared iridium complexes 1 and examined for their performance by constructing OLED devices according to standard protocols. Metal iridium complexes that are suitable for use in organic electroluminescent devices, in particular as emitters. The experimental process involved the reaction of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(cas: 1417036-28-2).Safety of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

The Article related to iridium cyclometalated arylpyridine hexadentate bridged ligand complex preparation, oled dopant iridium cyclometalated arylpyridine hexadentate bridged ligand complex, Organometallic and Organometalloidal Compounds: Group Viii – Co, Ni, Ru, Rh, Pd, Os, Ir, Pt and other aspects.Safety of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On February 21, 2014, Cheng, Chen; Hartwig, John F. published an article.Application of 1417036-28-2 The title of the article was Rhodium-Catalyzed Intermolecular C-H Silylation of Arenes with High Steric Regiocontrol. And the article contained the following:

Regioselective C-H functionalization of arenes has widespread applications in synthetic chem. The regioselectivity of these reactions is often controlled by directing groups or steric hindrance ortho to a potential reaction site. Here, authors report a catalytic intermol. C-H silylation of unactivated arenes that manifests very high regioselectivity through steric effects of substituents meta to a potential site of reactivity. The silyl moiety can be further functionalized under mild conditions but is also inert toward many common organic transformations, rendering the silylarene products useful building blocks. The remote steric effect that we observe results from the steric properties of both the rhodium catalyst and the silane. The experimental process involved the reaction of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(cas: 1417036-28-2).Application of 1417036-28-2

The Article related to rhodium catalyzed intermol carbon hydrogen silylation arene steric regiocontrol, Organometallic and Organometalloidal Compounds: Silicon Compounds and other aspects.Application of 1417036-28-2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On April 22, 2015, Saito, Yutaro; Segawa, Yasutomo; Itami, Kenichiro published an article.Category: ethers-buliding-blocks The title of the article was para-C-H Borylation of benzene derivatives by a bulky iridium catalyst. And the article contained the following:

A highly para-selective aromatic C-H borylation has been accomplished. By a new iridium catalyst bearing a bulky diphosphine ligand, Xyl-MeO-BIPHEP, the C-H borylation of monosubstituted benzenes can be affected with para-selectivity up to 91%. This catalytic system is quite different from the usual iridium catalysts that cannot distinguish meta- and para-C-H bonds of monosubstituted benzene derivatives, resulting in the preferred formation of meta-products. The para-selectivity increases with increasing bulkiness of the substituent on the arene, indicating that the regioselectivity of the present reaction is primarily controlled by steric repulsion between substrate and catalyst. Caramiphen, an anticholinergic drug used in the treatment of Parkinson’s disease, was converted into five derivatives via our para-selective borylation. The present [Ir(cod)OH]2/Xyl-MeO-BIPHEP catalyst represents a unique, sterically controlled, para-selective, aromatic C-H borylation system that should find use in streamlined, predictable chem. synthesis and in the rapid discovery and optimization of pharmaceuticals and materials. The experimental process involved the reaction of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(cas: 1417036-28-2).Category: ethers-buliding-blocks

The Article related to boration monosubstituted benzene para selective iridium biphep catalyst, arylboronic ester preparation para selective boration aromatic substitution, Organometallic and Organometalloidal Compounds: Boron Compounds and other aspects.Category: ethers-buliding-blocks

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Tajuddin, Hazmi; Harrisson, Peter; Bitterlich, Bianca; Collings, Jonathan C.; Sim, Neil; Batsanov, Andrei S.; Cheung, Man Sing; Kawamorita, Soichiro; Maxwell, Aoife C.; Shukla, Lena; Morris, James; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G. published an article in 2012, the title of the article was Iridium-catalyzed C-H borylation of quinolines and unsymmetrical 1,2-disubstituted benzenes: insights into steric and electronic effects on selectivity.Reference of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane And the article contains the following content:

Borylation of quinolines provides an attractive method for the late-stage functionalization of this important heterocycle. The regiochem. of this reaction is dominated by sterptsic factors but, by undertaking reactions at room temperature, an underlying electronic selectivity becomes apparent, as exemplified by the comparative reactions of 7-halo-2-methylquinoline and 2,7-dimethylquinoline which afford variable amounts of the 5- and 4-borylated products. Similar electronic selectivities are observed for nonsym. 1,2-disubstituted benzenes. The site of borylation can be simply estimated by anal. of the 1H NMR spectrum of the starting material with preferential borylation occurring at the site of the most deshielded sterically accessible H or C atom. Such effects can be linked with C-H acidity. While DFT calculations of the pKa for the C-H bond show good correlation with the observed selectivity, small differences suggest that related alternative, but much more computationally demanding values, such as the M-C bond strength, may be better quant. predictors of selectivity. The experimental process involved the reaction of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(cas: 1417036-28-2).Reference of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

The Article related to quinoline derivative borylation iridium catalyst regiochem steric electronic effect, mol structure borylated quinoline preparation, Organometallic and Organometalloidal Compounds: Boron Compounds and other aspects.Reference of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On July 4, 2013, Chen, Wei; Loury, David J. published a patent.Computed Properties of 1417036-28-2 The title of the patent was Preparation of pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine derivatives as Btk kinase inhibitors. And the patent contained the following:

The invention related to pyrazolo[3,4-d]pyrimidine derivatives of formula I and their pharmaceutically acceptable salts as Bruton’s tyrosine kinase (Btk) inhibitors; pharmaceutical composition comprising them and their preparations and use thereof. Compounds of formula I wherein A is CH and N; Y is (un)substituted (hetero)arylene, cycloalkylene, heteroalkylene, etc; Z is CO, NHCO, NHSO1-2, etc.; R6, R7 and R8 are independently H and L-J-W; L and J are independently a bond, (un)substituted C1-6 alkylene, (un)substituted C3-6 cycloalkylene, etc.; W is H, NH2 and derivatives; R2 is H, CN, NO2, etc.; R4 is independently H, CN, NO2, etc.; and their pharmaceutically acceptable salt, are claimed. Example compound II was prepared by amination of (R)-tert-Bu 3-hydroxy-1-pyrrolidinecarboxylate with 3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine,the resulting substituted pyrazolopyrimidine underwent deprotection followed by N-acylation with 4-(dimethylamino)but-2-enoic acid to afford 2-(E)-1-[(R)-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one, which underwent coupling reaction with 4-chlorophenylboronic acid to afford compound II. The invention compounds were evaluated for their Btk inhibitory activity. From the assay, it was determined that example compound II exhibited IC50 value of < 100 nM. The experimental process involved the reaction of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(cas: 1417036-28-2).Computed Properties of 1417036-28-2

The Article related to pyrazolopyrimidine preparation btk kinase inhibitor, Heterocyclic Compounds (More Than One Hetero Atom): Pyrimidines and Quinazolines and other aspects.Computed Properties of 1417036-28-2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On February 19, 2013, Chen, Wei; Loury, David J. published a patent.COA of Formula: C14H21BO3 The title of the patent was Preparation of pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine derivatives as Btk kinase inhibitors. And the patent contained the following:

The invention related to pyrazolo[3,4-d]pyrimidine derivatives of formula I, pharmaceutical composition comprising them, their preparations and use as Bruton’s tyrosine kinase (Btk) inhibitors thereof. Compounds of formula I wherein X is a bond; Y is (un)substituted (hetero)arylene; Z is CO, CS, S(O)1-2, NHCO and derivatives, and NHSO1-2 and derivatives; R1 and R2 are independently H, (un)substituted (hetero)aryl, heterocycloalkyl, C1-4 alkyl and C3-6 cycloalkyl; or R1R2 taken together form a heterocycloalkyl ring; each R3 is independently halo, C1-4 alkyl, CF3, CN, NO2, NH2, OH and OMe; m is 1 – 3; and their pharmaceutically acceptable salt, are claimed. Example compound II was prepared by amination of (R)-tert-Bu 3-hydroxy-1-pyrrolidinecarboxylate with 3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine,the resulting substituted pyrazolopyrimidine underwent deprotection followed by N-acylation with 4-(dimethylamino)but-2-enoic acid to afford 2-(E)-1-((R)-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl)-4-(dimethylamino)but-2-en-1-one, which underwent coupling reaction with 4-chlorophenylboronic acid to afford compound II. All the invention compounds were evaluated for their Btk inhibitory activity. From the assay, it was determined that example compound II exhibited IC50 value of < 100 nM. The experimental process involved the reaction of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(cas: 1417036-28-2).COA of Formula: C14H21BO3

The Article related to pyrazolopyrimidine preparation btk kinase inhibitor, Heterocyclic Compounds (More Than One Hetero Atom): Pyrimidines and Quinazolines and other aspects.COA of Formula: C14H21BO3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On October 18, 2018, Trzoss, Lynnie; Betancort, Juan Manuel; Kanouni, Toufike; Wallace, Michael Brennan; Boloor, Amogh published a patent.Recommanded Product: 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane The title of the patent was Preparation of N-containing heteroaryl pyridone compounds as selective CREB-binding protein inhibitors for treatment of cancer, immune disorders, and inflammatory diseases. And the patent contained the following:

The present embodiments relate to substituted heterocyclic derivatives of formula I, compositions comprising said compounds, and the use of said compounds and compositions for epigenetic regulation by inhibition of bromodomain-mediated recognition of acetyl lysine regions of proteins, such as histones. Compounds of I [wherein X = N or CR7; R7 = H, halo, alkyl, or alkoxy; R2 = H, alkyl, (hetero)aryl, etc.; R5 = H, halo, CN, (un)substituted aryl, etc.; R6 = H, halo, CN, heteroaryl, etc.; R8 = (un)substituted heteroaryl] or pharmaceutically acceptable salts thereof, are claimed and exemplified. Example compound II was prepared from a multistep procedure (preparation given). Said compositions and methods are useful for the treatment of diseases mediated by aberrant cell signaling, such as inflammatory disorders, cancer and neoplastic disease. Particular compounds described herein exhibit selective inhibitory activity against CREB-binding protein (CBP) compared with BRD4. Exemplified I were evaluated for CBP inhibitory activity with some compounds demonstrating IC50 values of ≥ 0.5 μM (data provided). The experimental process involved the reaction of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(cas: 1417036-28-2).Recommanded Product: 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

The Article related to heteroarylpyridone preparation creb binding protein cancer inflammation immune disorder, Heterocyclic Compounds (More Than One Hetero Atom): Pyrimidines and Quinazolines and other aspects.Recommanded Product: 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On November 1, 2012, Tsuhako, Amy Lew; Marlowe, Charles K.; Zaharia, Christiana A.; Kabigting, Lori; Bajjalieh, William; Tesfai, Zerom; Huang, Ping; Moon, Kim; Aay, Naing; Tambo-Ong, Arlyn; Nuss, John M.; Xu, Wei; Kearney, Patrick published a patent.Application In Synthesis of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane The title of the patent was Pyrimidine derivatives as inhibitors of inducible form of 6-phosphofructose-2-kinase and their preparation and use for the treatment of cancer. And the patent contained the following:

The invention relates to pyrimidines of formula I, which are inhibitors of inducible form of 6-phosphofructose-2-kinase (iPFK-2) and which are useful in the treatment of cancer. Compounds of formula I wherein W is (un)substituted (un)branched C1-12 aliphatic chain; X1, X2 and X3 are independently absent, (un)substituted aryl, (un)substituted heteroaryl, etc.; Y is absent and (un)substituted (un)branched C1-12 aliphatic chain; Z is H, (un)substituted C1-8 aliphatic, (un)substituted aryl, etc.; L is absent, NH and derivatives and (un)substituted (un)branched C1-4 aliphatic chain; A is (un)substituted aryl, (un)substituted heteroaryl, etc.; and pharmaceutically acceptable salts thereof, are claimed. Example compound II was prepared by a general procedure (procedure given). All the invention compounds were evaluated for their iPFK-2 inhibitory activity. From the assay, it was determined that compound II exhibited an IC50 value of <500 nM. The experimental process involved the reaction of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(cas: 1417036-28-2).Application In Synthesis of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

The Article related to pyrimidine preparation phosphofructose kinase inhibitor treatment cancer, Heterocyclic Compounds (More Than One Hetero Atom): Pyrimidines and Quinazolines and other aspects.Application In Synthesis of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On October 9, 2014, Bair, Kenneth W.; Millan, David S.; Martin, Matthew W.; Tebbe, Mark J.; Lu, Wei; Li, Hongbin; Loch, James published a patent.Application of 1417036-28-2 The title of the patent was Preparation of FASN inhibitors useful for treatment of cancer and other diseases. And the patent contained the following:

The invention relates to compounds of formula I as inhibitors of fatty acid synthase (FASN) useful alone or in combination with other drugs for the treatment of disorders such as cancer, autoimmune diseases, inflammatory disorders, and viral infections. I [wherein R1 is a (un)substituted 5- to 6-membered heterocycloalkyl; L is a (un)substituted 5- to 10-membered monocyclic or bicyclic (hetero)alkyl; A and B are independently O or S; Ar is a (un)substituted 3- to 10-membered monocyclic or bicyclic (hetero)aryl or heterocycloalkyl; R2 is H, a (un)substituted (hetero)aryl, or a (un)substituted (hetero)cycloalkyl] and pharmaceutically acceptable salts thereof are claimed and exemplified. Example compound (R)-II was prepared in a multistep process (preparation given). and evaluated for inhibition of cancer cell proliferation using PC3 cells. From the above assay III was determined to exhibit an IC50 value of <0.5 μM. The experimental process involved the reaction of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(cas: 1417036-28-2).Application of 1417036-28-2

The Article related to fatty acid synthase inhibitor preparation cancer, Heterocyclic Compounds (More Than One Hetero Atom): Pyrazines and Quinoxalines (Including Piperazines) and other aspects.Application of 1417036-28-2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On June 12, 2017, Zhu, Lei; Qi, Xiaotian; Li, Yingzi; Duan, Meng; Zou, Lufeng; Bai, Ruopeng; Lan, Yu published an article.Product Details of 1417036-28-2 The title of the article was Ir(III)/Ir(V) or Ir(I)/Ir(III) Catalytic Cycle? Steric-Effect-Controlled Mechanism for the para-C-H Borylation of Arenes. And the article contained the following:

A potential energy surface for iridium-catalyzed C-H-borylation of aromatic compounds was calculated; while bulky phosphine ligands favor Ir(I)-Ir(III) C-H activation, small amine ligands promote formation of triboryl Ir(V) intermediates. D. functional theory method N12 was used to study the mechanism of the [Ir(cod)OH]2/Xyl-MeO-BIPHEP-catalyzed para-selective C-H borylation reaction. The results revealed that the use of a bulky diphosphine ligand such as Xyl-MeO-BIPHEP was unfavorable for the previously proposed iridium(III)/iridium(V) catalytic cycle because it resulted in considerable steric repulsion in the hepta-coordinated iridium(V) intermediate. Inspired by this steric effect, we have proposed a novel iridium(I)/iridium(III)-based catalytic cycle for this transformation and shown that it can be used to account for the exptl. results. The iridium(I)/iridium(III) catalytic cycle induced by this steric effect consists of several steps, including: (i) the oxidative addition of the C-H bond of the substrate to an active iridium(I) boryl complex; (ii) the reductive elimination of a C-B bond; (iii) the oxidative addition of B2pin2 to an iridium(I) hydride complex; and (iv) the reductive elimination of a B-H bond. Notably, the computed regioselectivity of this reaction was consistent with the exptl. observations. The high para-selectivity of this reaction was also explained using structural anal. and a 2D contour model, which revealed that the strong steric repulsion between the diphosphine ligand and the meta-substituents resulted in a higher energy barrier for meta-C-H activation. The experimental process involved the reaction of 2-(3-Methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(cas: 1417036-28-2).Product Details of 1417036-28-2

The Article related to potential energy surface direct ch borylation arene iridium catalyst, diphosphine diamine iridium complex catalyst arene borylation intermediate geometry, steric effect ligand mechanism direct borylation arene iridium catalyst and other aspects.Product Details of 1417036-28-2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem