tert-butyl 4-(methanesulfonyloxy)piperidine-1-carboxylate

• ChemBase编号: 63624
• 分子式: C11H21NO5S
• 平均质量: 279.35314
• 单一同位素质量: 279.11404378
• SMILES: S(=O)(=O)(C)OC1CCN(C(=O)OC(C)(C)C)CC1
• Canonical SMILES: O=C(N1CCC(CC1)OS(=O)(=O)C)OC(C)(C)C
• InChI: InChI=1S/C11H21NO5S/c1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15/h9H,5-8H2,1-4H3
• InChIKey: WOEQSXAIPTXOPY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl 4-(methanesulfonyloxy)piperidine-1-carboxylate
• IUPAC传统名: tert-butyl 4-(methanesulfonyloxy)piperidine-1-carboxylate
• 别名: 1-Boc-4-Methanesulfonyloxy-piperidine; tert-butyl 4-(methanesulfonyloxy)piperidine-1-carboxylate; tert-Butyl 4-((methylsulfonyl)oxy)piperidine-1-carboxylate; 4-Methanesulfonyloxy-piperidine-1-carboxylic acid tert-butyl ester; 4-[(Methylsulphonyl)oxy]piperidine, N-BOC protected; tert-Butyl 4-[(methylsulphonyl)oxy]piperidine-1-carboxylate

登记号

• CAS号: 141699-59-4
• MDL号: MFCD04116220
• PubChem SID: 162029363
• PubChem CID: 4184869

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.3445384
• LogD (pH = 7.4): 0.3445384
• Log P: 0.3445384
• 摩尔折射率: 66.1653 cm^3
• 极化性: 27.153282 Å^3
• 极化表面积: 72.91 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

• 熔点: 84 - 86°C
• 疏水性(logP): 1.067

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: >95%; 95%; 95+%