4-bromophenoxytris(propan-2-yl)silane

• ChemBase编号: 163006
• 分子式: C15H25BrOSi
• 平均质量: 329.3479
• 单一同位素质量: 328.08580395
• SMILES: c1c(ccc(c1)Br)O[Si](C(C)C)(C(C)C)C(C)C
• Canonical SMILES: CC([Si](C(C)C)(C(C)C)Oc1ccc(cc1)Br)C
• InChI: InChI=1S/C15H25BrOSi/c1-11(2)18(12(3)4,13(5)6)17-15-9-7-14(16)8-10-15/h7-13H,1-6H3
• InChIKey: HFFWXPIQBUOVFO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-bromophenoxytris(propan-2-yl)silane
• IUPAC传统名: 4-bromophenoxytriisopropylsilane
• 别名: 1-Bromo-4-triisopropylsilyloxybenzene; (4-Bromophenoxy)tris(1-methylethyl)silane; 1-Bromo-4-[[tris(1-methylethyl)silyl]oxy]benzene; 4-Bromophenoxytriisopropylsilane

登记号

• CAS号: 193966-77-7
• PubChem SID: 162257141
• PubChem CID: 536194

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.0991
• LogD (pH = 7.4): 6.0991
• Log P: 6.0991
• 摩尔折射率: 79.123 cm^3
• 极化性: 33.196766 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• 外观: Colourless Oil

详细说明

Toronto Research Chemicals - B686400

Tyramine intermediate.

参考文献

• Tan, E., et al.: Chem. Biol., 15, 343 (2008)
• Ocasio, C., et al.: Bioorg., Med., Chem., 16, 762 (2008)