(3R,4S)-1-Benzyl-4-(3-methoxyphenyl)-3-pyrrolidinecarboxylic acid
[CAS# 939757-61-6]

Identification

• Name: (3R,4S)-1-Benzyl-4-(3-methoxyphenyl)-3-pyrrolidinecarboxylic acid
• Synonyms: (4S,3R)-4-(3-methoxyphenyl)-1-benzylpyrrolidine-3-carboxylic acid; Trans-1-benzyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
• Molecular Formula: C₁₉H₂₁NO₃
• Molecular Weight: 311.37
• CAS Registry Number: 939757-61-6
• SMILES: COc1cccc(c1)[C@H]2CN(C[C@@H]2C(=O)O)Cc3ccccc3
• InChI: 1S/C19H21NO3/c1-23-16-9-5-8-15(10-16)17-12-20(13-18(17)19(21)22)11-14-6-3-2-4-7-14/h2-10,17-18H,11-13H2,1H3,(H,21,22)/t17-,18+/m1/s1
• InChIKey: ZFHOJYCXBWSOAW-MSOLQXFVSA-N

Properties

• Density: 1.204g/cm³ (Cal.)
• Boiling point: 479.167°C at 760 mmHg (Cal.)
• Flash point: 243.592°C (Cal.)
• Refractive index: 1.6 (Cal.)