1-Benzyl-5-oxopyrrolidine-3-carbonyl chloride

Base Information

• Chemical Name: 1-Benzyl-5-oxopyrrolidine-3-carbonyl chloride
• CAS No.: 114368-05-7
• Molecular Formula: C12H12ClNO2
• Molecular Weight: 237.68200
• DSSTox Substance ID: DTXSID90555519
• Mol file: 114368-05-7.mol

Synonyms:1-benzyl-5-oxopyrrolidine-3-carbonyl chloride;114368-05-7;3-Pyrrolidinecarbonyl chloride, 5-oxo-1-(phenylmethyl)-;DTXSID90555519;MFCD11940708;AKOS005132926;LS-05022;1-benzyl-5-oxopyrrolidine-3-carbonylchloride;CS-0335258

Chemical Property of 1-Benzyl-5-oxopyrrolidine-3-carbonyl chloride

Chemical Property:

• PSA: 37.38000
• LogP: 1.73840
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 237.0556563
• Heavy Atom Count: 16
• Complexity: 287

Purity/Quality:

97% ^*data from raw suppliers

1-Benzyl-5-oxopyrrolidine-3-carbonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)Cl

Technology Process of 1-Benzyl-5-oxopyrrolidine-3-carbonyl chloride

There total 4 articles about 1-Benzyl-5-oxopyrrolidine-3-carbonyl chloride 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:

1-benzyl-5-oxopyrrolidine-3-carboxylic acid (5733-86-8) → 1-benzyl-2-pyrrolidinone-4-carboxylic acid chloride (114368-05-7)

Guidance literature:

With thionyl chloride; In 1,4-dioxane; at 90 - 100 ℃; for 0.5h;

DOI:10.1248/cpb.42.1442

Reference yield:

2-methylenesuccinic acid (97-65-4,25119-64-6) → 1-benzyl-2-pyrrolidinone-4-carboxylic acid chloride (114368-05-7)

Guidance literature:

Multi-step reaction with 2 steps

1: (COCl)2; DMF / CH₂Cl₂ / 0 - 20 °C

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1248/cpb.52.63

Reference yield:

benzylamine (100-46-9) → 1-benzyl-2-pyrrolidinone-4-carboxylic acid chloride (114368-05-7)

Guidance literature:

Multi-step reaction with 2 steps

1: (COCl)2; DMF / CH₂Cl₂ / 0 - 20 °C

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1248/cpb.52.63

upstream raw materials:

1-benzyl-5-oxopyrrolidine-3-carboxylic acid

2-methylenesuccinic acid

benzylamine

Downstream raw materials:

2-(1-Benzyl-5-oxo-pyrrolidine-3-carbonyl)-2-methyl-malonic acid diethyl ester

1-benzyl-3-(1-tert-butoxycarbonylaminopropyl)pyrrolidine

4-(1-aminopropyl)-1-benzyl-2-pyrrolidone

3-(1-Aminopropyl)-1-benzylpyrrolidine