2-(3-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 296577
• Molecular Formular: C19H23BO2
• Molecular Mass: 294.19572
• Monoisotopic Mass: 294.17911038
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1cccc(c1)Cc1ccccc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(c1)Cc1ccccc1
• InChI: InChI=1S/C19H23BO2/c1-18(2)19(3,4)22-20(21-18)17-12-8-11-16(14-17)13-15-9-6-5-7-10-15/h5-12,14H,13H2,1-4H3
• InChIKey: VNZSTZMLJUPNQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(3-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 3-Benzylphenylboronic acid pinacol ester; 2-(3-Benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 3-Benzylbenzeneboronic acid pinacol ester; 3-苄基苯硼酸频哪酯

Database IDs

• MDL Number: MFCD09266179
• PubChem SID: 180682108
• PubChem CID: 46739037

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.9811
• LogD (pH = 7.4): 5.9811
• Log P: 5.9811
• Molar Refractivity: 85.4503 cm^3
• Polarizability: 35.41071 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 67-70°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%