2-[(E)-Benzylideneamino]-1-(pyrrolidin-1-yl)ethan-1-one

Base Information

• Chemical Name: 2-[(E)-Benzylideneamino]-1-(pyrrolidin-1-yl)ethan-1-one
• CAS No.: 113273-60-2
• Molecular Formula: C13H16N2O
• Molecular Weight: 216.283
• DSSTox Substance ID: DTXSID40555221
• Mol file: 113273-60-2.mol

Synonyms:113273-60-2;2-[(E)-Benzylideneamino]-1-(pyrrolidin-1-yl)ethan-1-one;DTXSID40555221

Chemical Property of 2-[(E)-Benzylideneamino]-1-(pyrrolidin-1-yl)ethan-1-one

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 216.126263138
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C(=O)CN=CC2=CC=CC=C2

Technology Process of 2-[(E)-Benzylideneamino]-1-(pyrrolidin-1-yl)ethan-1-one

There total 2 articles about 2-[(E)-Benzylideneamino]-1-(pyrrolidin-1-yl)ethan-1-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:

chloroacetic acid pyrrolidide (20266-00-6) → N,N-tetramethylene-2-(benzylideneamino)ethanamide (113273-60-2)

Guidance literature:

Multi-step reaction with 2 steps

1: liq. NH₃

2: Et₃N / benzene / 1 h

With ammonia; triethylamine; In benzene;

DOI:10.1021/jo00242a008

Reference yield:

2-amino-1-(pyrrolidin-1-yl)ethan-1-one (24152-95-2) + benzaldehyde (100-52-7) → N,N-tetramethylene-2-(benzylideneamino)ethanamide (113273-60-2)

Guidance literature:

With triethylamine; In benzene; for 1h;

DOI:10.1021/jo00242a008

Reference yield: 98.0%

N,N-tetramethylene-2-(benzylideneamino)ethanamide (113273-60-2) + methacrylic acid methyl ester (80-62-6,114512-63-9,143476-91-9,25188-98-1,9011-14-7) → (2R,3R,5R)-3-Methyl-2-phenyl-5-(pyrrolidine-1-carbonyl)-pyrrolidine-3-carboxylic acid methyl ester (113273-84-0)

Guidance literature:

With triethylamine; lithium bromide; In tetrahydrofuran; for 24h; Ambient temperature;

DOI:10.1021/jo00242a008

upstream raw materials:

2-amino-1-(pyrrolidin-1-yl)ethan-1-one

benzaldehyde

chloroacetic acid pyrrolidide

Downstream raw materials:

(2S,3R,5R)-2-Phenyl-5-(pyrrolidine-1-carbonyl)-pyrrolidine-3-carboxylic acid methyl ester

(2R,3R,5R)-3-Methyl-2-phenyl-5-(pyrrolidine-1-carbonyl)-pyrrolidine-3-carboxylic acid methyl ester

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