[(4-bromophenyl)methoxy](tert-butyl)dimethylsilane

• ChemBase编号: 163437
• 分子式: C13H21BrOSi
• 平均质量: 301.29474
• 单一同位素质量: 300.05450382
• SMILES: c1c(ccc(c1)CO[Si](C(C)(C)C)(C)C)Br
• Canonical SMILES: CC([Si](OCc1ccc(cc1)Br)(C)C)(C)C
• InChI: InChI=1S/C13H21BrOSi/c1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11/h6-9H,10H2,1-5H3
• InChIKey: OURCJXVOBHLREF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(4-bromophenyl)methoxy](tert-butyl)dimethylsilane
• IUPAC传统名: [(4-bromophenyl)methoxy](tert-butyl)dimethylsilane
• 别名: 4-Bromobenzyl dimethyl-tert-butylsilyl Ether; (4-Bromobenzyl)oxy](tert-butyl)dimethylsilane; 1-Bromo-4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-benzene; 4-(tert-Butyldimethylsilyloxymethyl)bromobenzene

登记号

• CAS号: 87736-74-1
• PubChem SID: 162257572
• PubChem CID: 10859583

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.8666
• LogD (pH = 7.4): 4.8666
• Log P: 4.8666
• 摩尔折射率: 70.3448 cm^3
• 极化性: 29.540512 Å^3
• 极化表面积: 9.23 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

• 溶解度: Dichloromethane; Diethyl Ether; Methanol
• 外观: Colorless Oil

安全信息

• 保存条件: Refrigerator

详细说明

Toronto Research Chemicals - B691880

Used in the preparation of aromatic bisphosphonates as inhibitors of geranylgeranyl diphosphate synthase.

参考文献

• Barney, R. Bioorg. Med. Chem. 18, 7212 (2010)