4,4,5,5-tetramethyl-2-[2-phenyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane

• ChemBase编号: 74836
• 分子式: C20H30B2O4
• 平均质量: 356.0718
• 单一同位素质量: 356.23302024
• SMILES: B1(OC(C(O1)(C)C)(C)C)/C(=C/B1OC(C)(C)C(O1)(C)C)/c1ccccc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)/C=C(/B1OC(C(O1)(C)C)(C)C)\c1ccccc1
• InChI: InChI=1S/C20H30B2O4/c1-17(2)18(3,4)24-21(23-17)14-16(15-12-10-9-11-13-15)22-25-19(5,6)20(7,8)26-22/h9-14H,1-8H3
• InChIKey: VQWACXAYGMFHOQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5-tetramethyl-2-[2-phenyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-[1-phenyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane
• IUPAC传统名: 4,4,5,5-tetramethyl-2-[2-phenyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-[1-phenyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane
• 别名: 顺式-1,2-双(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)苯乙烯; 顺式-2-苯乙烯基-1,2-双(4,4,5,5-四甲基-1,3,2-二氧杂硼烷); (E)-苯基-1,2-亚乙基二硼酸双(频哪醇)酯; cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) styrene; cis-2-Phenylvinyl-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane); (E)-Phenyl-1,2-ethylenediboronic acid bis(pinacol) ester; cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)styrene

登记号

• CAS号: 173603-23-1
• MDL号: MFCD03453056; MFCD02683500
• PubChem SID: 162039754; 24874628
• PubChem CID: 5708401

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.4909
• LogD (pH = 7.4): 5.4909
• Log P: 5.4909
• 摩尔折射率: 95.0561 cm^3
• 极化性: 41.232094 Å^3
• 极化表面积: 36.92 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 69-73 °C(lit.)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 98%
• Empirical Formula (Hill Notation): C20H30B2O4

详细说明

Sigma Aldrich - 527572

包装
1, 5 g in glass bottle