99768-12-4 4-Methoxycarbonylphenylboronic Acid

99768-12-4 4-Methoxycarbonylphenylboronic Acid

Methyl 4-boronobenzoate Basic information Methyl 4-boronobenzoate Chemical Properties Safety Information Methyl 4-boronobenzoate Usage And Synthesis Methyl 4-boronobenzoate Preparation Products And Raw materials Upstream information Methyl 4-boronobenzoate; phenylhydrazine; o-cresol; dimethyl...
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Product Details

Methyl 4-boronobenzoate Basic information

Product Name:

Methyl 4-boronobenzoate

Synonyms:

RARECHEM AH PB 0115;P-(METHOXYCARBONYL)PHENYLBORONIC    ACID;METHYL 4-BORONOBENZOATE;AKOS BRN-0122;4-METHOXYCARBONYLBENZENEBORONIC    ACID;4-METHOXYCARBONYLPHENYLBORONIC    ACID;4-CARBOMETHOXYPHENYLBORONIC ACID;4-METHOXYCATBONYLPHENYLBORONICACID

CAS:

99768-12-4

MF:

C8H9BO4

MW:

179.97

EINECS:

1806241-263-5

Product Categories:

blocks;BoronicAcids;Carboxes;Boronic Acid series;Acids and Derivatives;Boron, Nitrile, Thio,& TM-Cpds;Boronic acids;Aryl;Boronic acid;Organoborons;B (Classes of Boron Compounds);CHIRAL CHEMICALS;Aryl Boronic Acids;Boronic Acids and Derivatives;Chemical Synthesis;Monosubstituted Aryl Boronic Acids;Organometallic Reagents;Boronate Ester;Potassium Trifluoroborate

Mol File:

99768-12-4.mol

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Methyl 4-boronobenzoate Chemical Properties

Melting point 

197-200 °C(lit.)

solubility 

Soluble in methanol.

Appearance

white to light yellow crystal    powder

Density:

1.25g/cm3

Boiling    Point:

345.8ºC at 760mmHg

Flash    Point:

162.9ºC

Refractive Index:

1.532

Storag Condition:

0-6ºC

CAS DataBase Reference

99768-12-4(CAS DataBase Reference)


Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

37/39-26

WGK Germany 

3

HazardClass 

IRRITANT


Methyl 4-boronobenzoate Usage And Synthesis

Chemical Properties

White to light yellow crystal powde

Uses

Reagent used for• ;Tandem-type Pd(II)-catalyzed oxidative Heck reaction and intramolecular C-H amidation sequence1 • ;Copper-mediated ligandless aerobic fluoroalkylation of arylboronic acids with fluoroalkyl iodides2 • ;One-pot ipso-nitration of arylboronic acids3 • ;Copper-catalyzed nitration4 • ;Cyclocondensation    followed by palladium-phosphine-catalyzed Suzuki-Miyaura coupling5 • ;Reagent used in Preparation of• ;Biaryls via nickel-catalyzed Suzuki-Miyaura cross-coupling reaction of aryl halides with arylboronic acid6† • ;Chromenones and their

Uses

suzuki reaction

Intermediate as

1206161-97-8 Filgotinib (GLPG0634)
     

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Synthesis route

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Reference:

ACTELION PHARMACEUTICALS LTD. Patent:US2008/76762 A1, 2008; Location in patent: Page/Page column 44-45;
US 20080076762 A1
Journal of the American    Chemical Society, , vol. 118, # 45 p. 11093 - 11100

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Reference:

Wang, Xiao-Jun; Sun, Xiufeng; Zhang, Li; Xu, Yibo; Krishnamurthy, Dhileepkumar; Senanayake, Chris H. Organic Letters, 2006, vol. 8, # 2 p. 305 - 307

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Reference:

Journal of the American Chemical Society, ,    vol. 134, # 28 p. 11667 - 11673

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Reference:

Rosen, Brad M.; Wilson, Daniela A.; Wilson, Christopher J.; Peterca, Mihai; Won, Betty C.; Huang, Chenghong; Lipski,    Linda R.; Zeng, Xiangbing; Ungar, Goran; Heiney, Paul A.; Percec, Virgil Journal of the American Chemical Society, 2009 , vol. 131, # 47 p. 17500 - 17521


Methyl 4-boronobenzoate Preparation Products And Raw materials

Raw materials

Methanol-->Tetrahydrofuran-->Nitrogen-->Potassium permanganate-->Magnesium-->Trimethyl borate-->4-Bromotoluene


Upstream information

Methyl 4-boronobenzoate; phenylhydrazine; o-cresol; dimethyl sulfate; zinc,dicyanide; 4-[1-(5-bromofuran-2-yl)ethyl]morpholine; 5-bromofuran-2-carbaldehyde; 4-cyanophenol; 2-Chlorothiophene; para-methoxyphenyl tosylate;


Downtream information

METHYL 2,4-DICHLOROBENZOATE; 4-(2-Thienyl)benzoic acid; Methylparaben; methyl 4-pyridin-3-ylbenzoate; methyl 4-(4-nitrophenyl)benzoate; methyl 4-pyridin-4-ylbenzoate; methyl 4-(4-methylphenyl)benzoate; 1-PHENYL-1,3-BUTADIENE; methyl 4-(4-cyanophenyl)benzoate; 4-[3-(hydroxymethyl)phenyl]benzoic acid

 

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