N-methoxy-N-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

• ChemBase ID: 92143
• Molecular Formular: C15H22BNO4
• Molecular Mass: 291.15048
• Monoisotopic Mass: 291.16418859
• SMILES: O1C(C(C)(C)OB1c1cccc(c1)C(=O)N(C)OC)(C)C
• Canonical SMILES: CON(C(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C15H22BNO4/c1-14(2)15(3,4)21-16(20-14)12-9-7-8-11(10-12)13(18)17(5)19-6/h7-10H,1-6H3
• InChIKey: ATIMPABZLDHDMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• IUPAC Traditional name: N-methoxy-N-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• Synonyms: N-Methoxy-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; 3-[Methoxy(methyl)carbamoyl]benzeneboronic acid, pinacol ester 97%; 3-(N-Methoxy-N-methylcarbamoyl)phenylboronic acid pinacol ester; [3-(N,O-Dimethyl hydroxylaminocarbonyl)phenyl] boronic acid pinacol ester; N,O-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydroxamate; 3-(N,O-Dimethylhydroxylaminocarbonyl)benzeneboronic acid pinacol ester; N-甲氧基-N-甲基-3-(4,4,5,5-四甲基-1,3,2-二氧杂戊硼烷-2-基)苯甲酰胺; 3-(N-甲氧基-N-甲基氨甲酰)苯硼酸频哪醇酯; 3-(N,O-二甲羟氨基甲酰基)苯硼酸频哪酯

Database IDs

• MDL Number: MFCD09258775
• PubChem SID: 162078841
• PubChem CID: 44119763

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3157
• LogD (pH = 7.4): 3.3157
• Log P: 3.3157
• Molar Refractivity: 75.9351 cm^3
• Polarizability: 31.209574 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69-72°C; 70-74 °C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: 否
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%; 97+%
• Empirical Formula (Hill Notation): C15H22BNO4

DETAILS

Sigma Aldrich - 692654

Packaging
1, 5 g in glass bottle