(3R,4S)-1-benzylpyrrolidine-3,4-dicarboxylic acid

Base Information

• Chemical Name: (3R,4S)-1-benzylpyrrolidine-3,4-dicarboxylic acid
• CAS No.: 164916-63-6
• Molecular Formula: C13H15 N O4
• Molecular Weight: 249.26
• DSSTox Substance ID: DTXSID40363904
• Wikidata: Q72442908
• Mol file: 164916-63-6.mol

Synonyms:164916-63-6;(3R,4S)-1-benzylpyrrolidine-3,4-dicarboxylic acid;cis-1-Benzyl-3,4-pyrrolidinedicarboxylic acid;cis-1-Benzylpyrrolidine-3,4-dicarboxylic acid;(3S,4R)-1-benzylpyrrolidine-3,4-dicarboxylic acid;cis-1-Benzyl-3,4-pyrrolidinedicarboxylicacid;SCHEMBL1188230;DTXSID40363904;MFCD04116225;AKOS015901112;A3660;CS-0447734;D84464

Chemical Property of (3R,4S)-1-benzylpyrrolidine-3,4-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 2.94E-09mmHg at 25°C
• Refractive Index: 1.611
• Boiling Point: 460°Cat760mmHg
• Flash Point: 232°C
• PSA: 77.84000
• Density: 1.365g/cm³
• LogP: 0.84170
• Storage Temp.: 2-8°C
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 249.10010796
• Heavy Atom Count: 18
• Complexity: 303

Purity/Quality:

98%min ^*data from raw suppliers

cis-1-Benzylpyrrolidine-3,4-dicarboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(CN1CC2=CC=CC=C2)C(=O)O)C(=O)O
• Isomeric SMILES: C1[C@H]([C@H](CN1CC2=CC=CC=C2)C(=O)O)C(=O)O

Technology Process of (3R,4S)-1-benzylpyrrolidine-3,4-dicarboxylic acid

There total 1 articles about (3R,4S)-1-benzylpyrrolidine-3,4-dicarboxylic acid 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: 69.0%

dimethyl 1-benzylpyrrolidine-3,4-dicarboxylate (87813-06-7) → 1-benzylpyrrolidine-3,4-dicarboxylic acid (164916-63-6,358387-99-2)

Guidance literature:

dimethyl 1-benzylpyrrolidine-3,4-dicarboxylate; With hydrogenchloride; water; at 70 ℃; for 22h;

With sodium hydroxide; In water; pH=Ca. 3;

DOI:10.1016/j.ejmech.2010.01.004

Reference yield: 91.0%

1-benzylpyrrolidine-3,4-dicarboxylic acid (164916-63-6,358387-99-2) → cis-5-benzyltetrahydro-1H-furo[3,4-c]pyrrole-1,3(3aH)-dione (1221289-17-3,885956-73-0)

Guidance literature:

With acetic anhydride; acetic acid; at 20 ℃; Reflux;

DOI:10.1016/j.ejmech.2010.01.004

upstream raw materials:

dimethyl 1-benzylpyrrolidine-3,4-dicarboxylate

Downstream raw materials:

cis-5-benzyltetrahydro-1H-furo[3,4-c]pyrrole-1,3(3aH)-dione

Refernces