4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenylboronic acid

• CAS: 867044-33-5
• Catalog Number: ACM867044335
• Category: Boronic Acids
• Molecular Weight: 314.1g/mol
• Molecular Formula: C19H15BN2O2
• Synonyms: [4-(2-Phenyl-1H-benzimidazol-1-yl)phenyl]-boronic acid;4-(1-Phenyl-1H-benzo[d]imidazol-2-yl)phenylboronic acid
• IUPAC Name: [4-(2-phenylbenzimidazol-1-yl)phenyl]boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=CC=C4)(O)O
• InChI: InChI=1S/C19H15BN2O2/c23-20(24)15-10-12-16(13-11-15)22-18-9-5-4-8-17(18)21-19(22)14-6-2-1-3-7-14/h1-13,23-24H
• InChI Key: RCOAUYBPVRIYBG-UHFFFAOYSA-N
• Density: 1.21
• Complexity: 408
• Covalently-Bonded Unit Count: 1
• Exact Mass: 314.122658g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 24
• Monoisotopic Mass: 314.122658g/mol
• Rotatable Bond Count: 3

Synthetic Use

Upstream Synthesis Route 1

• 760212-58-6
• 5419-55-6

• 867044-33-5

Reference: [1] Patent: CN102977129, 2016, B, . Location in patent: Paragraph 0104; 0108

Upstream Synthesis Route 2

• 760212-58-6

• 867044-33-5

Reference: [1] Patent: EP1734038, 2006, A1, . Location in patent: Page/Page column 49

Upstream Synthesis Route 3

• 106-40-1

• 867044-33-5

Reference: [1] Patent: CN102977129, 2016, B,

Upstream Synthesis Route 4

• 760212-58-6

• 867044-33-5

Reference: [1]Patent: EP1734038,2006,A1 .Location in patent: Page/Page column 49