5-Oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid

Base Information

• Chemical Name: 5-Oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
• CAS No.: 96449-93-3
• Molecular Formula: C₁₃H₁₅NO₃
• Molecular Weight: 233.267
• Hs Code.: 2933990090
• European Community (EC) Number: 822-279-5
• DSSTox Substance ID: DTXSID001220421
• ChEMBL ID: CHEMBL1408352
• Mol file: 96449-93-3.mol

Synonyms:5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid;96449-93-3;MFCD02625781;5-Oxo-1-(1-phenylethyl)-3-pyrrolidinecarboxylic acid;ChemDiv2_003285;Cambridge id 7115698;Oprea1_419639;5-Oxo-1-(1(S)-phenylethyl)pyrrolidine-3(R,S)-carboxylic acid;MLS000676527;SCHEMBL1263214;(1'R,3R)-1-(1'-PHENYLETHYL)-5-OXO-3-PYRROLIDINE CARBOXYLIC ACID;CHEMBL1408352;DTXSID001220421;HMS1378F07;HMS2677I20;BBL029699;MFCD30537407;STK266639;AKOS000263323;AKOS016040508;BS-9822;SB21929;SMR000299069;SY273883;BB 0219709;CS-0187849;FT-0679311;FT-0770902;EN300-11544;E76013;SR-01000532266;SR-01000532266-1;5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylicacid;Z57050136;3-Pyrrolidinecarboxylic acid, 5-oxo-1-(1-phenylethyl)-;5-Oxo-1-(1-phenylethyl)-3-pyrrolidinecarboxylic acid #;Pyrrolidine-3-carboxylic acid, 5-oxo-1-(1-phenylethyl)-

Chemical Property of 5-Oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid

Chemical Property:

• PSA: 57.61000
• LogP: 1.61860
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.10519334
• Heavy Atom Count: 17
• Complexity: 310

Purity/Quality:

98%min ^*data from raw suppliers

5-Oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)O

Technology Process of 5-Oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid

There total 25 articles about 5-Oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic 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: 97.0%

2-methylenesuccinic acid (97-65-4,25119-64-6) + (R)-1-phenyl-ethyl-amine (3886-69-9) → (3RS)-1-<(R)-1-phenylethyl>-5-oxo-3-pyrrolidinecarboxylic acid (915302-94-2,96449-93-3,99735-44-1)

Guidance literature:

at 160 ℃; for 4h;

DOI:10.1021/jm00163a012

Reference yield: 70.0%

methyl (3R)-1-<(R)-1-phenylethyl>-5-oxo-3-pyrrolidinecarboxylate (99735-45-2) → (3R)-1-((R)-1-phenylethyl)-5-oxo-3-pyrrolidinecarboxylic acid (99735-43-0,96449-93-3,99735-44-1)

Guidance literature:

With hydrogenchloride; at 100 ℃; for 3h;

DOI:10.1021/jm00393a004

Reference yield: 66.0%

methyl (3S)-1-<(R)-1-phenylethyl>-5-oxo-3-pyrrolidinecarboxylate (99735-46-3) → (S)-5-Oxo-1-((R)-1-phenyl-ethyl)-pyrrolidine-3-carboxylic acid (96449-93-3,99735-44-1)

Guidance literature:

With hydrogenchloride; at 100 ℃; for 3h;

DOI:10.1021/jm00393a004

upstream raw materials:

2-methylenesuccinic acid

(R)-1-phenyl-ethyl-amine

methyl 5-oxo-1-((S)-1-phenylethyl)pyrrolidine-3-(R)-carboxylate

(S)-1-phenyl-ethylamine

Downstream raw materials:

2-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-4-carboxylic acid tert-butyl ester

tert-butyl (3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-(3R)-carboxylate

tert-butyl (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-(3R)-carboxylate