N,N-dimethylmethanesulfonamide

• ChemBase编号: 8437
• 分子式: C3H9NO2S
• 平均质量: 123.17406
• 单一同位素质量: 123.03539953
• SMILES: N(S(=O)(=O)C)(C)C
• Canonical SMILES: CN(S(=O)(=O)C)C
• InChI: InChI=1S/C3H9NO2S/c1-4(2)7(3,5)6/h1-3H3
• InChIKey: WCFDSGHAIGTEKL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethylmethanesulfonamide
• IUPAC传统名: N,N-dimethylmethanesulfonamide
• 别名: N,N-二甲基甲磺酰胺; N,N-Dimethyl methanesulfonamide; N,N-Dimethylmethanesulfonamide

登记号

• CAS号: 918-05-8
• EC号: 213-039-5
• MDL号: MFCD00014740
• Beilstein号: 1747409
• PubChem SID: 160971744
• PubChem CID: 70191

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -1.0878974
• LogD (pH = 7.4): -1.0878974
• Log P: -1.0878974
• 摩尔折射率: 27.8603 cm^3
• 极化性: 11.6424 Å^3
• 极化表面积: 37.38 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 46-50°C; 49-50°C
• 沸点: 119-120°C/17mm

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false; 否

产品相关信息

• 纯度: 98+%

参考文献

• Lithiation, followed by acylation with esters and reductive cleavage of the C-S bond of the acylsulfonamide with sodium amalgam, provides a route to methyl ketones: J. Am. Chem. Soc., 87, 1345 (1965).
• Quaternization with a powerful alkylating agent leads to a methanesulfonyl trialkylammonium salt, suitable for the mesylation of sensitive substrates: J. Am. Chem. Soc., 97, 2566 (1975).