2-(benzenesulfonyl)-3-phenyloxaziridine

• ChemBase编号: 65173
• 分子式: C13H11NO3S
• 平均质量: 261.29634
• 单一同位素质量: 261.04596422
• SMILES: c1cccc(c1)C1N(O1)S(=O)(=O)c1ccccc1
• Canonical SMILES: O=S(=O)(N1OC1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C13H11NO3S/c15-18(16,12-9-5-2-6-10-12)14-13(17-14)11-7-3-1-4-8-11/h1-10,13H
• InChIKey: MKHGVMIXRPGHOO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(benzenesulfonyl)-3-phenyloxaziridine
• IUPAC传统名: 2-(benzenesulfonyl)-3-phenyloxaziridine
• 别名: 3-Phenyl-2-(phenylsulfonyl)-1,2-oxaziridine; 2-(Phenylsulfonyl)-3-phenyloxaziridine; 2-(Benzenesulfonyl)-3-phenyloxaziridine; 3-Phenyl-2-(phenylsulfonyl)-1,2-oxaziridine; 3-Phenyl-2-phenylsulfonyloxaziridine; 3-Phenyl-N-phenylsulfonyloxaziridine; N-(Phenylsulfonyl)phenyloxaziridine; N-Benzenesulfonyl-3-phenyloxaziridine; NSC 268112; Davis Oxaziridine

登记号

• CAS号: 63160-13-4
• MDL号: MFCD03931864
• PubChem SID: 162030912
• PubChem CID: 320405

理论计算性质

• Acid pKa: 13.7106905
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.056558
• LogD (pH = 7.4): 3.0565577
• Log P: 3.056558
• 摩尔折射率: 66.7407 cm^3
• 极化性: 26.996859 Å^3
• 极化表面积: 49.68 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95%; 95+%

详细说明

Toronto Research Chemicals - D194900

Davis Oxaziridine is an oxidizing agent used in the preparation of wide variety of pharmaceutical compounds.

参考文献

• Davis, F. et al.: J. Org. Chem., 49, 3241 (1984)
• Cruz-Almanza, R. et al.: Tetrahed. Lett., 38, 183 (1984)