methyl (3S,4R)-4-phenylpyrrolidine-3-carboxylate

Base Information

• Chemical Name: methyl (3S,4R)-4-phenylpyrrolidine-3-carboxylate
• CAS No.: 156469-70-4
• Molecular Formula: C₁₂H₁₅NO₂
• Molecular Weight: 205.257
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID60935465
• Wikidata: Q76511695
• Mol file: 156469-70-4.mol

Synonyms:methyl (3S,4R)-4-phenylpyrrolidine-3-carboxylate;156469-70-4;1145671-66-4;4-Phenylpyrrolidine-3-methylcarboxylate;(3S,4R)-Methyl 4-phenylpyrrolidine-3-carboxylate;MFCD01862546;DTXSID60935465;RHZYPIMJMZIAGF-WDEREUQCSA-N;TRANS-4-PHENYL-PYRROLIDINE-3-CARBOXYLIC ACID METHYL ESTER;AKOS015898239;PS-3584;DB-336037;CS-0015368;EN300-198616;EN300-267153;F13018;(3S,4R)-Methyl4-phenylpyrrolidine-3-carboxylate;Methyl ()-trans-4-phenyl-3-pyrrolidinecarboxylate;rac-methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;3-Pyrrolidinecarboxylic acid, 4-phenyl-, methyl ester, trans-()-

Chemical Property of methyl (3S,4R)-4-phenylpyrrolidine-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.00071mmHg at 25°C
• Refractive Index: 1.525
• Boiling Point: 307.8°C at 760 mmHg
• PKA: 9.02±0.10(Predicted)
• Flash Point: 139.9°C
• PSA: 38.33000
• Density: 1.1g/cm³
• LogP: 1.49140
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

Methyl (+/-)-trans-4-phenylpyrrolidine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CNCC1C2=CC=CC=C2
• Isomeric SMILES: COC(=O)[C@@H]1CNC[C@H]1C2=CC=CC=C2

Technology Process of methyl (3S,4R)-4-phenylpyrrolidine-3-carboxylate

There total 1 articles about methyl (3S,4R)-4-phenylpyrrolidine-3-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(3SR,4SR)methyl 1-benzyl-4-phenylpyrrolidine-3-carboxylate (87813-03-4,438492-33-2) → (3R,4S)-4-Phenyl-pyrrolidine-3-carboxylic acid methyl ester (156469-70-4,939758-05-1)

Guidance literature:

(3SR,4SR)methyl 1-benzyl-4-phenylpyrrolidine-3-carboxylate; With carbonochloridic acid 1-chloro-ethyl ester; In toluene; at 110 ℃;

With methanol; at 80 ℃; Further stages.;

DOI:10.1016/j.bmcl.2007.08.028

upstream raw materials:

(3SR,4SR)methyl 1-benzyl-4-phenylpyrrolidine-3-carboxylate