N-methoxy-N-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

• ChemBase编号: 140778
• 分子式: C15H22BNO4
• 平均质量: 291.15048
• 单一同位素质量: 291.16418859
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)C(=O)N(C)OC
• Canonical SMILES: CON(C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C15H22BNO4/c1-14(2)15(3,4)21-16(20-14)12-9-7-11(8-10-12)13(18)17(5)19-6/h7-10H,1-6H3
• InChIKey: BILGGOPMWGNRQQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methoxy-N-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• IUPAC传统名: N-methoxy-N-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• 别名: 4-(氮,氧二甲基羟氨基碳基)苯基硼酸频哪酯; N-甲氧基-N-甲基-4-(4,4,5,5-四甲基-1,3,2-二氧杂戊硼烷-2-基)苯甲酰胺; 4-(N-甲氧基-N-甲基氨甲酰)苯硼酸频哪醇酯; [4-(N,O-Dimethyl hydroxylaminocarbonyl)phenyl] boronic acid pinacol ester; N,O-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydroxamate; 4-(N,O-Dimethylhydroxylaminocarbonyl)benzeneboronic acid pinacol ester; N-Methoxy-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; 4-(N-Methoxy-N-methylcarbamoyl)phenylboronic acid pinacol ester

登记号

• MDL号: MFCD09953501
• PubChem SID: 162235018
• PubChem CID: 46739065

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: 31.210457 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: 94-101 °C; 96-99°C

安全信息

• TSCA收录: 否
• 保存温度: 2-8°C

产品相关信息

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

详细说明

Sigma Aldrich - 692646

包装
1, 5 g in glass bottle