benzyl 1-(diphenylmethyl)azetidine-2-carboxylate

• ChemBase编号: 161525
• 分子式: C24H23NO2
• 平均质量: 357.44492
• 单一同位素质量: 357.17287898
• SMILES: C1CN(C1C(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(C1CCN1C(c1ccccc1)c1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C24H23NO2/c26-24(27-18-19-10-4-1-5-11-19)22-16-17-25(22)23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-23H,16-18H2
• InChIKey: VTDVMKXDAGMXQS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: benzyl 1-(diphenylmethyl)azetidine-2-carboxylate
• IUPAC传统名: benzyl 1-(diphenylmethyl)azetidine-2-carboxylate
• 别名: 1-(Diphenylmethyl)-2-azetidinecarboxylic Acid Phenylmethyl Ester; NSC 286703; Benzyl N-Diphenylmethyl-2-azetidinecarboxylate

登记号

• CAS号: 22742-42-3
• PubChem SID: 162255660
• PubChem CID: 323845

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.33977
• LogD (pH = 7.4): 5.118887
• Log P: 5.1476245
• 摩尔折射率: 106.9915 cm^3
• 极化性: 42.167828 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Dichloromethane; Methanol
• 外观: White Crystalline Solid
• 熔点: 61-63°C

详细说明

Toronto Research Chemicals - B276315

A four-membered ring analog of L-Proline. A useful intermediate in the synthesis of polypeptides.

参考文献

• Barber, M., et al.: Int. J. Pept. Protein Res., 14(3)
• 247 (3)
• Tsai., F.H., et al.: Biopolymers, 30(11-12), 1039 (1990)