4-(METHOXYCARBONYL)PHENYLBORONIC ACID

4-(METHOXYCARBONYL)PHENYLBORONIC ACID Basic information

Product Name:	4-(METHOXYCARBONYL)PHENYLBORONIC ACID
Synonyms:	RARECHEM AH PB 0115;P-(METHOXYCARBONYL)PHENYLBORONIC ACID;METHYL 4-BORONOBENZOATE;AKOS BRN-0122;4-METHOXYCARBONYLBENZENEBORONIC ACID;4-METHOXYCARBONYLPHENYLBORONIC ACID;4-CARBOMETHOXYPHENYLBORONIC ACID;Methyl 4-boronobenzoate 4-(Methoxycarbonyl)phenylboronic acid
CAS:	99768-12-4
MF:	C8H9BO4
MW:	179.97
EINECS:	619-459-9
Product Categories:	Aryl;Boronic acid;blocks;Acids and Derivatives;Boron, Nitrile, Thio,& TM-Cpds;Organoborons;BoronicAcids;Carboxes;Boronic Acid series;Boronic acids;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

4-(METHOXYCARBONYL)PHENYLBORONIC ACID Chemical Properties

Melting point	197-200 °C (lit.)
Boiling point	345.8±44.0 °C(Predicted)
density	1.25±0.1 g/cm3(Predicted)
storage temp.	Inert atmosphere,Room Temperature
solubility	Soluble in methanol.
form	powder
pka	7.69±0.10(Predicted)
color	white to off-white
InChI	InChI=1S/C8H9BO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5,11-12H,1H3
InChIKey	PQCXFUXRTRESBD-UHFFFAOYSA-N
SMILES	C1=CC(C(OC)=O)=CC=C1B(O)O
CAS DataBase Reference	99768-12-4(CAS DataBase Reference)

Safety Information

MSDS Information

Provider	Language
SigmaAldrich	English
ACROS	English

4-(METHOXYCARBONYL)PHENYLBORONIC ACID Usage And Synthesis

Chemical Properties	White to light yellow crystal powde
Uses	4-(Methoxycarbonyl)phenylboronic Acid is a 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
Uses	4-(Methoxycarbonyl)phenylboronic Acid is used in the synthesis and evaluation of several organic compounds including that of 4-Cyclohexylbutyl-N-[(S)-2-oxoazetidin-3-yl]carbamate which is a potent inhibitor of intracellular NAAA activity. Also used in the design and synthesis of BMS-955176 which is a potent, orally active second generation HIV-1 maturation inhibitor.

4-(METHOXYCARBONYL)PHENYLBORONIC ACID Preparation Products And Raw materials

Raw materials	Methanol-->Tetrahydrofuran-->Nitrogen-->Potassium permanganate-->Magnesium-->Trimethyl borate-->4-Bromotoluene
Preparation Products	Momelotinib-->METHYL 4'-BROMO[1,1'-BIPHENYL]-4-CARBOXYLATE-->4,6-Di(4-carboxyphenyl)pyrimidine-->4-(4-N-BUTYLPHENYL)BENZOIC ACID-->Biphenyl-3,4′,5-tricarboxylic acid-->Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate-->4-(3-Methoxypyridin-2-yl)benzoic acid-->4-(2-Aminophenyl)benzyl alcohol-->Methyl 4-(4-hydroxymethylphenyl)benzoate

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