2-Oxo-1-phenylpyrrolidine-3-carbonitrile

Base Information

• Chemical Name: 2-Oxo-1-phenylpyrrolidine-3-carbonitrile
• CAS No.: 930298-96-7
• Molecular Formula: C11H10N2O
• Molecular Weight: 186.2099
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50582962
• Nikkaji Number: J2.433.930K
• Mol file: 930298-96-7.mol

Synonyms:2-Oxo-1-phenylpyrrolidine-3-carbonitrile;930298-96-7;2-Oxo-1-phenyl-3-pyrrolidinecarbonitrile;DTXSID50582962;MFCD09817455;AKOS005072674;GB-0707;J-510207

Chemical Property of 2-Oxo-1-phenylpyrrolidine-3-carbonitrile

Chemical Property:

• PSA: 44.10000
• LogP: 1.62808
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.079312947
• Heavy Atom Count: 14
• Complexity: 272

Purity/Quality:

95+% ^*data from raw suppliers

2-Oxo-1-phenyl-3-pyrrolidinecarbonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(=O)C1C#N)C2=CC=CC=C2

Technology Process of 2-Oxo-1-phenylpyrrolidine-3-carbonitrile

There total 1 articles about 2-Oxo-1-phenylpyrrolidine-3-carbonitrile 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: 74.0%

methyl 1-cyanocyclopropanecarboxylate (6914-73-4) + aniline (62-53-3) → 2-oxo-1-phenyl-3-pyrrolidinecarbonitrile (930298-96-7)

Guidance literature:

at 140 ℃; for 4h;

DOI:10.1002/jhet.5570440131

Reference yield: 82.0%

2-oxo-1-phenyl-3-pyrrolidinecarbonitrile (930298-96-7) + 4-chlorobenzoylmethyl bromide (536-38-9) → 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-oxo-1-phenyl-3-pyrrolidinecarbonitrile (1017244-37-9)

Guidance literature:

2-oxo-1-phenyl-3-pyrrolidinecarbonitrile; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃;

4-chlorobenzoylmethyl bromide; In N,N-dimethyl-formamide; at 20 ℃; for 2h; Further stages.;

DOI:10.3987/com-07-s(w)16

Reference yield: 76.0%

2-oxo-1-phenyl-3-pyrrolidinecarbonitrile (930298-96-7) + 2-Bromo-4'-methoxyacetophenone (2632-13-5) → 3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-oxo-1-phenyl-3-pyrrolidinecarbonitrile (1017244-43-7)

Guidance literature:

2-oxo-1-phenyl-3-pyrrolidinecarbonitrile; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃;

2-Bromo-4'-methoxyacetophenone; In N,N-dimethyl-formamide; at 20 ℃; for 2h; Further stages.;

DOI:10.3987/com-07-s(w)16

upstream raw materials:

methyl 1-cyanocyclopropanecarboxylate

aniline

Downstream raw materials:

3-[2-(4-chlorophenyl)-2-oxoethyl]-2-oxo-1-phenyl-3-pyrrolidinecarbonitrile

3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-oxo-1-phenyl-3-pyrrolidinecarbonitrile

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