3-Chloro-1-methyl-2-pyrrolidinone

Base Information

• Chemical Name: 3-Chloro-1-methyl-2-pyrrolidinone
• CAS No.: 208585-67-5
• Molecular Formula: C5H8ClNO
• Molecular Weight: 133.57612
• European Community (EC) Number: 835-367-3
• Mol file: 208585-67-5.mol

Synonyms:3-chloro-1-methylpyrrolidin-2-one;208585-67-5;3-CHLORO-1-METHYL-2-PYRROLIDINONE;chloro-methylpyrrolidone;SCHEMBL9825169;AKOS026737780;EN300-98648

Chemical Property of 3-Chloro-1-methyl-2-pyrrolidinone

Chemical Property:

• PSA: 20.31000
• LogP: 0.39380
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 133.0294416
• Heavy Atom Count: 8
• Complexity: 115

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

3-Chloro-1-methyl-2-pyrrolidinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCC(C1=O)Cl

Technology Process of 3-Chloro-1-methyl-2-pyrrolidinone

There total 2 articles about 3-Chloro-1-methyl-2-pyrrolidinone 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: 80.0%

1-methyl-pyrrolidin-2-one (872-50-4,26138-58-9) → 3-chloro-1-methylpyrrolidin-2-one (208585-67-5)

Guidance literature:

1-methyl-pyrrolidin-2-one; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

With methyl chlorosulfate; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

DOI:10.1016/j.tetlet.2018.02.036

Reference yield:

C5H8NO(1-)*Li(1+) → 3-chloro-1-methylpyrrolidin-2-one (208585-67-5)

Guidance literature:

With methanesulfonyl chloride;

DOI:10.1021/jp512378g

Reference yield: 88.0%

2-mercaptoacetophenone (2462-02-4) + 3-chloro-1-methylpyrrolidin-2-one (208585-67-5) → 1-Methyl-3-(2-oxo-2-phenyl-ethylsulfanyl)-pyrrolidin-2-one

Guidance literature:

With potassium carbonate; In acetonitrile;

DOI:10.1021/ja973464e

upstream raw materials:

1-methyl-pyrrolidin-2-one