2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase编号: 140767
• 分子式: C16H23BO4
• 平均质量: 290.16242
• 单一同位素质量: 290.16893962
• SMILES: B1(OC(C(O1)(C)C)(C)C)/C=C/c1cc(cc(c1)OC)OC
• Canonical SMILES: COc1cc(/C=C/B2OC(C(O2)(C)C)(C)C)cc(c1)OC
• InChI: InChI=1S/C16H23BO4/c1-15(2)16(3,4)21-17(20-15)8-7-12-9-13(18-5)11-14(10-12)19-6/h7-11H,1-6H3/b8-7+
• InChIKey: NTOQJUAKAYKAPE-BQYQJAHWSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC传统名: 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 别名: E-2-(3,5-二甲氧基苯基)乙烯基硼酸频哪醇酯; 反式-2-(3,5-二甲氧基苯基)乙烯基硼酸频哪醇酯; 2-[(1E)-2-(3,5-Dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; E-2-(3,5-Dimethoxyphenyl)vinylboronic acid pinacol ester; trans-2-(3,5-Dimethoxyphenyl)vinylboronic acid pinacol ester; (E)-2-(3,5-Dimethoxystyryl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

登记号

• CAS号: 1073354-86-5
• MDL号: MFCD09038437
• PubChem SID: 162235007; 24884838
• PubChem CID: 16218185

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.1304
• LogD (pH = 7.4): 4.1304
• Log P: 4.1304
• 摩尔折射率: 78.416 cm^3
• 极化性: 32.56656 Å^3
• 极化表面积: 36.92 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 56-62 °C

安全信息

• 德国WGK号: 3

产品相关信息

• 纯度: 95+%; 97%
• Empirical Formula (Hill Notation): C16H23BO4

详细说明

Sigma Aldrich - 676160

包装
1 g in glass bottle