CHEMBRDG-BB 4015909

Base Information

• Chemical Name: CHEMBRDG-BB 4015909
• CAS No.: 128120-02-5
• Molecular Formula: C10H11NO
• Molecular Weight: 161.203
• Hs Code.: 2933990090
• Mol file: 128120-02-5.mol

Synonyms:1-phenyl-3-pyrrolidinone;1-phenylpyrrolidine-3-one;3-Pyrrolidinone,1-phenyl;

Chemical Property of CHEMBRDG-BB 4015909

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 296.879oC at 760 mmHg
• PKA: 3.42±0.40(Predicted)
• Flash Point: 120.501oC
• PSA: 20.31000
• Density: 1.148g/cm3
• LogP: 1.53080

Purity/Quality:

99% ^*data from raw suppliers

1-Phenyl-3-pyrrolidinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-Phenyl-3-pyrrolidinone is used as a reagent in the synthesis of a series of non-classical antifolates which were evaluated for their in vitro cytotoxicity. Also used in the preparation of azetidine- and pyrrolidine-containing alkynes as mGluR5 regulators.

Technology Process of CHEMBRDG-BB 4015909

There total 4 articles about CHEMBRDG-BB 4015909 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: 79.0%

1-Phenyl-3-pyrrolidinol (90874-96-7) → 1-phenyl-3-pyrrolidinone (128120-02-5)

Guidance literature:

With pyridine; dicyclohexyl-carbodiimide; trifluoroacetic acid; In dimethyl sulfoxide; benzene; at 20 ℃; for 24h;

DOI:10.1016/S0968-0896(02)00238-9

Reference yield: 48.0%

C12H17NO2 → 1-phenyl-3-pyrrolidinone (128120-02-5)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 2h;

Reference yield:

aniline (62-53-3) → 1-phenyl-3-pyrrolidinone (128120-02-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 62 percent / K₂CO₃; (EtO)3PO / 6 h / 150 °C

2: 79 percent / N,N'-dicyclohexylcarbodiimide; pyridine; CF₃CO₂H / dimethylsulfoxide; benzene / 24 h / 20 °C

With pyridine; triethyl phosphate; potassium carbonate; dicyclohexyl-carbodiimide; trifluoroacetic acid; In dimethyl sulfoxide; benzene;

DOI:10.1016/S0968-0896(02)00238-9

upstream raw materials:

1-Phenyl-3-pyrrolidinol

aniline

Downstream raw materials:

3-(dicyanomethylene)-1-phenylpyrrolidine

3-[cyano(ethoxycarbonyl)methyl]-1-phenylpyrrolidine

3-(dicyanomethyl)-1-phenylpyrrolidine

Refernces

• 1、 Huang, Yen-Lin,Lin, Chyun-Feng,Lee, Yi-Jen,Li, Wei-Wei,Chao, Ting-Chou,Bacherikov, Valeriy A.,Chen, Kuo-Tung,Chen, Chin-Ming,Su, Tsann-Long. "Non-classical antifolates, 5-(N-phenylpyrrolidin-3-yl)-2,4,6-triaminopyrimidines and 2,4-Diamino-6(5H)-oxopyrimidines, synthesis and antitumor studies". . p. 145 - 157. Retrieved 2007/10/03.