ethyl 2-phenylprop-2-enoate

• ChemBase编号: 168389
• 分子式: C11H12O2
• 平均质量: 176.21178
• 单一同位素质量: 176.08372962
• SMILES: c1(C(=C)C(=O)OCC)ccccc1
• Canonical SMILES: CCOC(=O)C(=C)c1ccccc1
• InChI: InChI=1S/C11H12O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3
• InChIKey: BOIWYTYYWPXGAT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-phenylprop-2-enoate
• IUPAC传统名: ethyl 2-phenylprop-2-enoate
• 别名: α-Methylenebenzeneacetic Acid Ethyl Ester; Atropic Acid Ethyl Ester; 2-Phenylacrylic Acid Ethyl Ester; Ethyl 2-Phenylacrylate; Ethyl 2-Phenylprop-2-enoate; Ethyl α-Phenylacrylate; Ethyl Atropate; Ethyl 2-phenylacrylate

登记号

• CAS号: 22286-82-4
• MDL号: MFCD00026862
• PubChem SID: 162262521
• PubChem CID: 89651

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.9370704
• LogD (pH = 7.4): 2.9370704
• Log P: 2.9370704
• 摩尔折射率: 51.2612 cm^3
• 极化性: 20.12752 Å^3
• 极化表面积: 26.3 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

• 溶解度: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• 外观: Colourless Liquid

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere

产品相关信息

• 纯度: 95+%

详细说明

Toronto Research Chemicals - E897350

Intermediate in the production of Tilidine and derivatives of Tilidine.

参考文献

• Chen, H., et al.: J. Med. Chem., 43, 1398 (2000)
• Tizot, A., et al.: Med. Chem., 5, 208 (2000)