tert-butyldimethyl{[(3E)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-1-yl]oxy}silane

• ChemBase编号: 139447
• 分子式: C16H33BO3Si
• 平均质量: 312.32792
• 单一同位素质量: 312.22920185
• SMILES: B1(OC(C(O1)(C)C)(C)C)/C=C/CCO[Si](C)(C)C(C)(C)C
• Canonical SMILES: C[Si](C(C)(C)C)(OCC/C=C/B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C16H33BO3Si/c1-14(2,3)21(8,9)18-13-11-10-12-17-19-15(4,5)16(6,7)20-17/h10,12H,11,13H2,1-9H3/b12-10+
• InChIKey: ODTSJDLTXNDTBB-ZRDIBKRKSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyldimethyl{[(3E)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-1-yl]oxy}silane
• IUPAC传统名: tert-butyldimethyl{[(3E)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-1-yl]oxy}silane
• 别名: 反式-2-[4-(叔丁基二甲基硅氧基)-1-丁烯-1-基]-4,4,5,5-四甲基-1,3,2-二氧杂硼烷; 反式-4-(叔丁基二甲基硅氧基)-1-丁烯-1-基硼酸频哪醇酯; trans-2-[4-(tert-butyldimethylsilyloxy)-1-buten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; trans-4-(tert-Butyldimethylsiloxy)-1-buten-1-ylboronic acid pinacol ester; TRANS-4-(TERT-BUTYLDIMETHYLSILOXY)-1-BUTEN-1-YLBORONIC ACID PINACOL ESTER

登记号

• CAS号: 480425-30-7
• MDL号: MFCD05664265
• PubChem SID: 162233695; 24881043
• PubChem CID: 16217344

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.9832
• LogD (pH = 7.4): 4.9832
• Log P: 4.9832
• 摩尔折射率: 81.7724 cm^3
• 极化性: 36.223732 Å^3
• 极化表面积: 27.69 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

• 沸点: 297-298 °C(lit.)
• 闪点: >110 °C; >230 °F
• 密度: 0.888 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.4470(lit.)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves

产品相关信息

• 纯度: 95%; 98%
• Empirical Formula (Hill Notation): C16H33BO3Si

详细说明

Sigma Aldrich - 588849

包装
1, 5 g in glass bottle