3-Pyrrolidinone, 1-(phenylmethyl)-, oxime

Base Information

• Chemical Name: 3-Pyrrolidinone, 1-(phenylmethyl)-, oxime
• CAS No.: 66832-28-8
• Molecular Formula: C11H14N2O
• Molecular Weight: 190.245
• DSSTox Substance ID: DTXSID20355226
• Mol file: 66832-28-8.mol

Synonyms:3-Pyrrolidinone, 1-(phenylmethyl)-, oxime;66832-28-8;Oprea1_424061;Oprea1_835944;1-benzylpyrrolidin-3-one oxime;DTXSID20355226;LFNQMUOLIMKYBH-UHFFFAOYSA-N

Chemical Property of 3-Pyrrolidinone, 1-(phenylmethyl)-, oxime

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 190.110613074
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC1=NO)CC2=CC=CC=C2

Technology Process of 3-Pyrrolidinone, 1-(phenylmethyl)-, oxime

There total 1 articles about 3-Pyrrolidinone, 1-(phenylmethyl)-, oxime 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:

(β-ethoxycarbonylethyl)-methoxycarbonylmethylbenzylamine → 1-benzyl-3-(hydroxyimino)pyrrolidine (66832-28-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / hydroxylamine hydrochloride; KOH / ethanol / Heating

With potassium hydroxide; hydroxylamine hydrochloride; In ethanol; 1: Dieckmann cyclization;

DOI:10.1023/B:COHC.0000028629.93231.b8

Reference yield: 82.0%

1-benzyl-3-(hydroxyimino)pyrrolidine (66832-28-8) → 1-Benzyl-3-aminopyrrolidine (18471-40-4,60652-45-1,114715-38-7,114715-39-8)

Guidance literature:

With ammonia; hydrogen; nickel; In methanol; under 760 Torr;

DOI:10.1021/jm00142a019

Reference yield:

1-benzyl-3-(hydroxyimino)pyrrolidine (66832-28-8) → N-(1-benzyl-3-pyrrolidinyl)-4-amino-5-chloro-2-methoxybenzamide (61694-71-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / H₂, ammonia / Raney nickel / methanol / 760 Torr

2: CH₂Cl₂ / 2 h / Ambient temperature

With ammonia; hydrogen; nickel; In methanol; dichloromethane;

DOI:10.1021/jm00142a019

Downstream raw materials:

1-Benzyl-3-aminopyrrolidine

N-(1-benzyl-3-pyrrolidinyl)-4-amino-5-chloro-2-methoxybenzamide

N-(1-Benzyl-3-pyrrolidinyl)-5-chloro-2-methoxy-4-methylaminobenzamide

N-(1-benzyl-3-pyrrolidinyl)-5-chloro-4-dimethylamino-2-methoxybenzamide