tert-butyl 2-[(diphenylmethyl)amino]acetate

• ChemBase编号: 161224
• 分子式: C19H23NO2
• 平均质量: 297.39142
• 单一同位素质量: 297.17287898
• SMILES: c1(C(NCC(=O)OC(C)(C)C)c2ccccc2)ccccc1
• Canonical SMILES: O=C(OC(C)(C)C)CNC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H23NO2/c1-19(2,3)22-17(21)14-20-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,18,20H,14H2,1-3H3
• InChIKey: ZWWNPSADOUWQRL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl 2-[(diphenylmethyl)amino]acetate
• IUPAC传统名: tert-butyl 2-[(diphenylmethyl)amino]acetate
• 别名: tert-Butyl(diphenylmethylamino)ethanoate; N-(Diphenylmethyl)glycine 1,1-Dimethylethyl Ester; Benzhydrylaminoacetic Acid tert-Butyl Ester

登记号

• CAS号: 158980-46-2
• PubChem SID: 162255359
• PubChem CID: 11087797

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.755299
• LogD (pH = 7.4): 3.98969
• Log P: 3.993672
• 摩尔折射率: 88.2481 cm^3
• 极化性: 35.126896 Å^3
• 极化表面积: 38.33 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Light Brown Crystalline Solid
• 熔点: 75.5-76.5°C

详细说明

Toronto Research Chemicals - B193925

A useful intermediate in the synthesis of 2-Azetidinones.