Boronicacid, B-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-

• CAS: 913835-70-8
• Catalog Number: ACM913835708
• Category: Other Products
• Molecular Weight: 203.9921
• Molecular Formula: C9H9 B N2 O3
• Synonyms: 913835-70-8, 4-(5-Methyl-1,3,4-oxadiazol-2-yl)phenylboronic acid, 2-(4-Boronophenyl)-5-Methyl-1,3,4-Oxadiazole, ACMC-209r9v, AC1Q2PY1, SureCN2099040, CTK3I6384, MolPort-001-768-260, WT857, ANW-39617, OR3319, AKOS015842677, AG-H-74941, AK-64683, KB-34621, FT-0687776, B-4636, I04-2427, 4-(5-Methyl-1,3,4-oxadiazol-2-yl)benzeneboronic acid, 4-(5-Methyl-1,3,4-oxadiazol-2-yl)phenylboronic acid,
• IUPAC Name: [4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)C2=NN=C(O2)C)(O)O
• InChI Key: SPSKFVHUUJWUPB-UHFFFAOYSA-N
• Boiling Point: 418.2ºC at 760 mmHg
• Melting Point: 188-190ºC
• Flash Point: 206.7ºC
• Density: 1.34g/cm³
• Exact Mass: 204.07100
• Hazard Statements: Xi
• H-Bond Acceptor: 5
• H-Bond Donor: 2

Synthetic Use

Downstream Synthesis Route 1

• 913835-70-8
• 1314883-33-4

• 1314882-73-9

Reference: [1]González Cabrera, Diego; Douelle, Frederic; Younis, Yassir; Feng, Tzu-Shean; Le Manach, Claire; Nchinda, Aloysius T.; Street, Leslie J.; Scheurer, Christian; Kamber, Jolanda; White, Karen L.; Montagnat, Oliver D.; Ryan, Eileen; Katneni, Kasiram; Zabiulla, K. Mohammed; Joseph, Jayan T.; Bashyam, Sridevi; Waterson, David; Witty, Michael J.; Charman, Susan A.; Wittlin, Sergio; Chibale, Kelly
[Journal of Medicinal Chemistry, 2012, vol. 55, # 24, p. 11022 - 11030]

Downstream Synthesis Route 2

• 913835-70-8
• 1453852-15-7

• 1453852-68-0

Reference: [1]Current Patent Assignee: VERTEX PHARMACEUTICALS (OLD) - WO2013/134415, 2013, A1
Location in patent: Page/Page column 137

* For details of the synthesis route, please refer to the original source to ensure accuracy.