4-methoxycarbonylphenylboronic acid - CAS 99768-12-4

Catalog: BB042334
Product Name: 4-methoxycarbonylphenylboronic acid
CAS: 99768-12-4
Synonyms: Methyl 4-boronobenzoate; (4-Carbomethoxyphenyl)boronic Acid; 4-Carbomethoxybenzeneboronic Acid; 4-Methoxycarbonylbenzeneboronic Acid; Methyl p-Boronobenzoate; p-(Methoxycarbonyl)boronic Acid; p-(Methoxycarbonyl)phenylboronic Acid; Benzoic acid, 4-borono-, 1-methyl ester; DTXSID40370259; Methyl 4-(dihydroxyboryl)benzoate; BP-11412; BR-45488; CC-19763
4-methoxycarbonylphenylboronic acid
Related CAS:1373752-82-9 (deleted)
IUPAC Name:(4-methoxycarbonylphenyl)boronic acid
Description: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.
Molecular Weight:179.97
Molecular Formula:C8H9BO4
Canonical SMILES:B(C1=CC=C(C=C1)C(=O)OC)(O)O
InChI:InChI=1S/C8H9BO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5,11-12H,1H3
InChI Key:PQCXFUXRTRESBD-UHFFFAOYSA-N
Boiling Point:345.8±44.0 °C (Predicted)
Melting Point:197-200 °C
Flash Point:Not applicable
Purity:> 98 % (HPLC)
Density:1.250±0.10 g/cm3 (Predicted)
Solubility:Slightly soluble in DMSO, Methanol
Appearance:White to yellowish crystal powder
Storage:2-8 °C under inert atmosphere
MDL:MFCD01632203
LogP:-0.84700

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Related Functional Groups

Boronic Acids and Esters

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