4-Methyl-4-phenylpyrrolidin-2-one

Base Information

• Chemical Name: 4-Methyl-4-phenylpyrrolidin-2-one
• CAS No.: 74499-07-3
• Molecular Formula: C₁₁H₁₃NO
• Molecular Weight: 175.23
• European Community (EC) Number: 837-221-4
• Mol file: 74499-07-3.mol

Synonyms:4-methyl-4-phenylpyrrolidin-2-one;74499-07-3;ChemDiv3_014964;SCHEMBL12898108;HMS1515I04;4-methyl-4-phenyl-2-pyrrolidinone;AKOS003658301;AKOS017536926;CS-0235393;EU-0075987;EN300-156125;F89894;AO-365/15160012;F1913-0373;Z1263715001

Chemical Property of 4-Methyl-4-phenylpyrrolidin-2-one

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 175.099714038
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CC(=O)NC1)C2=CC=CC=C2

Technology Process of 4-Methyl-4-phenylpyrrolidin-2-one

There total 1 articles about 4-Methyl-4-phenylpyrrolidin-2-one 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: 62.0%

3-cyano-3-methyl-3-phenylpropanoic acid ethyl ester (123064-05-1) → 4-methyl-4-phenylpyrrolidin-2-one (74499-07-3)

Guidance literature:

3-cyano-3-methyl-3-phenylpropanoic acid ethyl ester; With sodium tetrahydroborate; cobalt(II) chloride hexahydrate; In tetrahydrofuran; water; at 0 - 20 ℃; for 72h;

With ammonia; In tetrahydrofuran; water;

Reference yield: 67.0%

4-methyl-4-phenylpyrrolidin-2-one (74499-07-3) + 2-(3-cyano-4-fluorophenoxy)ethyl methanesulfonate → 2-fluoro-5-[2-(4-methyl-2-oxo-4-phenylpyrrolidin-1-yl)ethoxy]benzonitrile

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 85 ℃; for 4h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.6b01427

upstream raw materials:

3-cyano-3-methyl-3-phenylpropanoic acid ethyl ester