dicyclopropylmethanol

• ChemBase编号: 301896
• 分子式: C7H12O
• 平均质量: 112.16958
• 单一同位素质量: 112.088815
• SMILES: C1CC1C(C1CC1)O
• Canonical SMILES: OC(C1CC1)C1CC1
• InChI: InChI=1S/C7H12O/c8-7(5-1-2-5)6-3-4-6/h5-8H,1-4H2
• InChIKey: PIXLZMHERIHLJL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dicyclopropylmethanol
• IUPAC传统名: dicyclopropyl carbinol
• 别名: 二环丙基甲醇; Dicyclopropyl carbinol; Dicyclopropylmethanol

登记号

• CAS号: 14300-33-5
• EC号: 238-236-3
• MDL号: MFCD00019249
• Beilstein号: 2203215

理论计算性质

• Acid pKa: 18.779552
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.1023445
• LogD (pH = 7.4): 1.1023445
• Log P: 1.1023445
• 摩尔折射率: 31.8155 cm^3
• 极化性: 12.7828245 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 99-100°C/12mm
• 闪点: >110°C(230°F)
• 折射率: 1.4650

安全信息

• TSCA收录: 否

产品相关信息

• 纯度: 97%

参考文献

• Esters of this alcohol undergo extremely rapid solvolysis under mildly acidic conditions such as 1% TFA in dichloromethane. This is due to the effective stabilization of a cation ɑAlpha/D to the cyclopropyl group. Carpino has shown that the dicyclopropylmethyl (Dcpm) group is therefore a potentially very useful, low molecular weight protecting group for the carboxyl function, particularly in peptide synthesis; selective removal in the presence of such acid-sensitive groups as t-butyl, N-Trt, etc. can be achieved: J. Org. Chem., 60, 7718 (1995). See Appendix 6.