2-Phenyl-pyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: 2-Phenyl-pyrrolidine-2-carboxylic acid
• CAS No.: 25860-44-0
• Molecular Formula: C11H14ClNO2
• Molecular Weight: 191.23
• Hs Code.: 2933990090
• European Community (EC) Number: 803-518-2
• DSSTox Substance ID: DTXSID50390105
• Mol file: 25860-44-0.mol

Synonyms:25860-44-0;2-phenylpyrrolidine-2-carboxylic acid;2-phenylproline;2-Phenyl-pyrrolidine-2-carboxylic acid;2-Phenyl-pyrrolidine-2-carboxylic acid hydrochloride;SCHEMBL435512;DTXSID50390105;CQAXKUDMMFGQDY-UHFFFAOYSA-N;HMS1697M21;2-phenylpyrrolidine-2-carboxylicacid;MFCD01544222;STK065467;AKOS000565649;AKOS016341384;2-Phenylproline (H-DL-Pro(2-Ph)-OH);BB 0237430;CS-0269772;FT-0677680;EN300-158090;A877451;2-Phenyl-pyrrolidine-2-carboxylic acid, AldrichCPR

Chemical Property of 2-Phenyl-pyrrolidine-2-carboxylic acid

Chemical Property:

• Boiling Point: 358.7±42.0 °C(Predicted)
• PKA: 1.91±0.20(Predicted)
• PSA: 49.33000
• Density: 1.198±0.06 g/cm3(Predicted)
• LogP: 2.48070
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

2-Phenyl-pyrrolidine-2-carboxylicAcidHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(NC1)(C2=CC=CC=C2)C(=O)O

Technology Process of 2-Phenyl-pyrrolidine-2-carboxylic acid

There total 3 articles about 2-Phenyl-pyrrolidine-2-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:

carbon dioxide (124-38-9,18923-20-1) + 2-phenylpyrrolidine-1-carboxylic acid tert-butyl ester (174311-02-5) → C11H13NO2 (917615-20-4) + 2-phenyl-pyrrolidine-2-carboxylic acid (25860-44-0)

Guidance literature:

2-phenylpyrrolidine-1-carboxylic acid tert-butyl ester; With sec.-butyllithium; (-)-sparteine; In diethyl ether; cyclohexane; at -78 ℃; for 6h; Inert atmosphere;

carbon dioxide; In diethyl ether; cyclohexane; at -78 - 20 ℃;

With hydrogenchloride; water; In diethyl ether; cyclohexane; enantioselective reaction;

DOI:10.1021/ol800109s

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 2-phenylpyrrolidine-1-carboxylic acid tert-butyl ester (174311-02-5) → 2-phenyl-pyrrolidine-2-carboxylic acid (25860-44-0) + C11H13NO2 (203645-40-3,917615-20-4)

Guidance literature:

2-phenylpyrrolidine-1-carboxylic acid tert-butyl ester; With sec.-butyllithium; (1R,2R)-N,N'-bis-(3,3-dimethyl-butyl)-N,N'-dimethyl-cyclohexane-1,2-diamine; In diethyl ether; cyclohexane; at -78 ℃; for 6h; Inert atmosphere;

carbon dioxide; In diethyl ether; cyclohexane; at -78 - 20 ℃;

With hydrogenchloride; water; In diethyl ether; cyclohexane; enantioselective reaction;

DOI:10.1021/ol800109s

Reference yield:

→ 2-phenyl-pyrrolidine-2-carboxylic acid (25860-44-0)

Guidance literature:

Imidazolidindion (10), NH4OH-Wasser gesaettigt m. H2S, Δ;

DOI:10.1021/jo00836a052

upstream raw materials:

carbon dioxide

2-phenylpyrrolidine-1-carboxylic acid tert-butyl ester

Downstream raw materials:

(2-phenylpyrrolidin-2-yl)methanol

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