5-Cyano-5-methyl-2-pyrrolidone

Base Information

• Chemical Name: 5-Cyano-5-methyl-2-pyrrolidone
• CAS No.: 86240-21-3
• Molecular Formula: C6H8N2O
• Molecular Weight: 124.142
• Hs Code.: 2933790090
• European Community (EC) Number: 809-496-0
• NSC Number: 49102
• DSSTox Substance ID: DTXSID00287132
• Nikkaji Number: J801.528G
• Mol file: 86240-21-3.mol

Synonyms:86240-21-3;2-methyl-5-oxopyrrolidine-2-carbonitrile;5-Cyano-5-methyl-2-pyrrolidone;2-methyl-5-oxo-2-pyrrolidinecarbonitrile;NSC49102;DTXSID00287132;MFCD12198475;NSC-49102;AKOS005362703;AT32548;BS-12538;CS-0225151;EN300-1229056;Z1201626413

Chemical Property of 5-Cyano-5-methyl-2-pyrrolidone

Chemical Property:

• Vapor Pressure: 1.94E-05mmHg at 25°C
• Boiling Point: 362.4°C at 760 mmHg
• Flash Point: 173°C
• PSA: 52.89000
• Density: 1.14g/cm³
• LogP: 0.50748
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 124.063662883
• Heavy Atom Count: 9
• Complexity: 191

Purity/Quality:

98% ^*data from raw suppliers

2-methyl-5-oxo-2-pyrrolidinecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC(=O)N1)C#N

Technology Process of 5-Cyano-5-methyl-2-pyrrolidone

There total 5 articles about 5-Cyano-5-methyl-2-pyrrolidone 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:

potassium cyanide (151-50-8) + 4-oxopentanoic acid ethyl ester (539-88-8) → 5-cyano-5-methyl-2-pyrrolidone (86240-21-3)

Guidance literature:

With ammonium hydroxide; ammonium chloride; In water; at 20 ℃; for 65h;

DOI:10.1016/S0040-4020(99)00379-8

Reference yield:

→ 5-cyano-5-methyl-2-pyrrolidone (86240-21-3)

Guidance literature:

With ammonia;

DOI:10.1021/ja01645a041

Reference yield:

4-oxopentanoic acid ethyl ester (539-88-8) → 5-cyano-5-methyl-2-pyrrolidone (86240-21-3)

Guidance literature:

With potassium cyanide; ethanol; ammonium chloride;

DOI:10.1021/ja01645a041

upstream raw materials:

triethanolamine

butyl levulinate

hydrogen cyanide

4-oxopentanoic acid ethyl ester

Downstream raw materials:

2-methylglutamic acid

Refernces