4,4,5,5-tetramethyl-2-[2-(naphthalen-1-yl)phenyl]-1,3,2-dioxaborolane

• ChemBase ID: 298290
• Molecular Formular: C22H23BO2
• Molecular Mass: 330.22782
• Monoisotopic Mass: 330.17911038
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccccc1c1cccc2c1cccc2
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccccc1c1cccc2c1cccc2
• InChI: InChI=1S/C22H23BO2/c1-21(2)22(3,4)25-23(24-21)20-15-8-7-13-19(20)18-14-9-11-16-10-5-6-12-17(16)18/h5-15H,1-4H3
• InChIKey: JYURRXFXRUJORL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,5,5-tetramethyl-2-[2-(naphthalen-1-yl)phenyl]-1,3,2-dioxaborolane
• IUPAC Traditional name: 4,4,5,5-tetramethyl-2-[2-(naphthalen-1-yl)phenyl]-1,3,2-dioxaborolane
• Synonyms: 2-(1-Naphthyl)phenylboronic acid pinacol ester; 2-(1-Naphthyl)benzeneboronic acid pinacol ester; 2-(1-萘基)苯硼酸频哪酯

Database IDs

• MDL Number: MFCD16294425
• PubChem SID: 180683821
• PubChem CID: 73011025

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.587
• LogD (pH = 7.4): 6.587
• Log P: 6.587
• Molar Refractivity: 97.2995 cm^3
• Polarizability: 42.697666 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%