3-(2-Carboxyvinyl)benzeneboronic acid

Base Information

• Chemical Name: 3-(2-Carboxyvinyl)benzeneboronic acid
• CAS No.: 216144-91-1
• Molecular Formula: C9H9BO4
• Molecular Weight: 191.979
• Hs Code.: 2931900090
• European Community (EC) Number: 681-894-5
• ChEMBL ID: CHEMBL140747
• Mol file: 216144-91-1.mol

Synonyms:216144-91-1;3-(3-boronophenyl)acrylic acid;(E)-3-(3-Boronophenyl)acrylic acid;3-(2-CARBOXYVINYL)BENZENEBORONIC ACID;843662-48-6;3-(trans-2-Carboxyvinyl)phenylboronic acid;3-(2-Carboxyvinyl)phenylboronic acid;(E)-3-(3-boronophenyl)prop-2-enoic acid;CHEMBL140747;3-[-(E)-2-Carboxyvinyl]benzeneboronic acid;3-phenylpropylester boronic acid;3-Boronocinnamic acid;(2E)-3-[3-(DIHYDROXYBORANYL)PHENYL]PROP-2-ENOIC ACID;2-Propenoic acid, 3-(3-boronophenyl)-, (2E)-;SCHEMBL856015;QCHIEOGZUMAQKI-SNAWJCMRSA-N;(E)-3-(3-Boronophenyl)acrylicacid;BDBM50067900;MFCD01075738;AKOS004116399;AM88111;PS-9453;NCGC00092018-01;3-(3-boronophenyl)-(2E)-2-Propenoic acid;CS-0128872;I12720;(2E)-3-[3-(dihydroxyboryl)phenyl]acrylic acid;3-(2-Carboxyvinyl)benzeneboronic acid, AldrichCPR;A815526;A928581

Chemical Property of 3-(2-Carboxyvinyl)benzeneboronic acid

Chemical Property:

• Vapor Pressure: 4.91E-09mmHg at 25°C
• Melting Point: 218-221°C
• Refractive Index: 1.591
• Boiling Point: 454.1 °C at 760 mmHg
• Flash Point: 228.4 °C
• PSA: 77.76000
• Density: 1.33g/cm³
• LogP: -0.53580
• Storage Temp.: Keep Cold
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 192.0593889
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

[3-(2-Carboxyvinyl)phenyl]boronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)C=CC(=O)O)(O)O
• Isomeric SMILES: B(C1=CC(=CC=C1)/C=C/C(=O)O)(O)O
• Uses: [3-(2-Carboxyvinyl)phenyl]boronic Acid is a reactant in the synthesis of inhibitors of malarial proteases plasmepsin I and II. Also used in the synthesis of structure based inhibitors of AmpC B-Lactamase 3-(2-Carboxyvinyl)benzeneboronic Acid is an intermediate used to prepare azaindoles with antibacterial activity. It is also used in the synthesis of Pim-2 kinase inhibitors.