3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl N-(2-methoxyethyl)carboximidate

• ChemBase编号: 296569
• 分子式: C16H24BNO4
• 平均质量: 305.17706
• 单一同位素质量: 305.17983865
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1cccc(c1)O/C=N/CCOC
• Canonical SMILES: COCC/N=C/Oc1cccc(c1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C16H24BNO4/c1-15(2)16(3,4)22-17(21-15)13-7-6-8-14(11-13)20-12-18-9-10-19-5/h6-8,11-12H,9-10H2,1-5H3
• InChIKey: RMWYJFUBECWHDL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl N-(2-methoxyethyl)carboximidate
• IUPAC传统名: 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl N-(2-methoxyethyl)carboximidate
• 别名: 3-(2-甲氧基乙基氨基羰基)苯硼酸频哪酯; 3-(2-Methoxyethylaminocarbonyl)phenylboronic acid pinacol ester; N-(2-Methoxyethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; 3-(2-Methoxyethylaminocarbonyl)benzeneboronic acid pinacol ester

登记号

• MDL号: MFCD09266187
• PubChem SID: 180682100
• PubChem CID: 73995107

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.548143
• LogD (pH = 7.4): 3.5510626
• Log P: 3.5511
• 摩尔折射率: 80.3523 cm^3
• 极化性: 33.45681 Å^3
• 极化表面积: 49.28 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 93-98°C

安全信息

• TSCA收录: 否

产品相关信息

• 纯度: 97%