5-Oxo-1-phenylpyrrolidine-3-carboxylic acid

Base Information

• Chemical Name: 5-Oxo-1-phenylpyrrolidine-3-carboxylic acid
• CAS No.: 39629-86-2
• Molecular Formula: C11H11NO3
• Molecular Weight: 205.213
• Hs Code.: 2933990090
• European Community (EC) Number: 843-430-1
• DSSTox Substance ID: DTXSID20371840
• Mol file: 39629-86-2.mol

Synonyms:5-oxo-1-phenylpyrrolidine-3-carboxylic acid;39629-86-2;5-Oxo-1-phenyl-pyrrolidine-3-carboxylic acid;2-Oxo-1-phenylpyrrolidine-4-carboxylic acid;MFCD00207656;1-Phenyl-5-oxopyrrolidine-3-carboxylic acid;5-Oxo-1-phenylpyrrolidine-3-carboxylicacid;Maybridge1_007504;5-oxo-1-phenyl-3-pyrrolidinecarboxylic acid;ChemDiv2_003327;Oprea1_347512;Oprea1_590418;SCHEMBL892508;HMS562N02;DTXSID20371840;phenyl-4-carboxy-2-pyrrolidinone;GHTSPNBSVDWGED-UHFFFAOYSA-N;HMS1378H05;AMY23656;BBL008519;STK063336;AKOS000109286;AKOS016036774;AS-5484;CCG-202940;5-oxo-1-phenypyrrolidine-3-carboxylic acid;BB 0217880;CS-0068094;EU-0099967;FT-0677229;EN300-35664;D94932;A873608;AT-057/40711944;SR-01000415051;SR-01000415051-1;Z57472940;F1216-0229;N-[3-(3-methylpiperidin-1-yl)propyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

Chemical Property of 5-Oxo-1-phenylpyrrolidine-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.34E-10mmHg at 25°C
• Boiling Point: 494.6oC at 760 mmHg
• Flash Point: 252.9oC
• PSA: 57.61000
• Density: 1.343g/cm3
• LogP: 1.18910
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.07389321
• Heavy Atom Count: 15
• Complexity: 271

Purity/Quality:

97% ^*data from raw suppliers

5-Oxo-1-phenylpyrrolidine-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CN(C1=O)C2=CC=CC=C2)C(=O)O

Technology Process of 5-Oxo-1-phenylpyrrolidine-3-carboxylic acid

There total 4 articles about 5-Oxo-1-phenylpyrrolidine-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) + aniline (62-53-3) → 5-oxo-1-phenyl-3-pyrrolidinecarboxylic acid (39629-86-2)

Guidance literature:

In water; at 110 ℃; for 30h; Sealed tube;

Reference yield: 90.0%

[1-(3-anilino-2-hydroxypropyl)-4-piperidinyl]-(4-fluorophenyl)methanone (304859-13-0) + 2-methylenesuccinic acid (97-65-4,25119-64-6) → 5-oxo-1-phenyl-3-pyrrolidinecarboxylic acid (39629-86-2)

Guidance literature:

at 150 ℃; for 1h;

Reference yield:

aniline (62-53-3) → 5-oxo-1-phenyl-3-pyrrolidinecarboxylic acid (39629-86-2)

Guidance literature:

With ethanol; at 100 ℃; im Rohr und Kochen des Reaktionsprodukts mit konz. Kalilauge unter Zusatz von etwas Alkohol;

upstream raw materials:

2-methylenesuccinic acid

aniline

[1-(3-anilino-2-hydroxypropyl)-4-piperidinyl]-(4-fluorophenyl)methanone

Downstream raw materials:

methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate

3-methyl-1-phenylpyrrole-2,5-dione

citraconic acid

2-methylenesuccinic acid