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

• ChemBase编号: 92143
• 分子式: C15H22BNO4
• 平均质量: 291.15048
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: N-methoxy-N-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• IUPAC传统名: N-methoxy-N-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• 别名: 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; 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

登记号

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

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.3157
• LogD (pH = 7.4): 3.3157
• Log P: 3.3157
• 摩尔折射率: 75.9351 cm^3
• 极化性: 31.209574 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 69-72°C; 70-74 °C

安全信息

• 保存注意事项: Irritant
• TSCA收录: 否
• 保存温度: 2-8°C

产品相关信息

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

详细说明

Sigma Aldrich - 692654

包装
1, 5 g in glass bottle