N-(5-Benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)acetamide

Base Information

• Chemical Name: N-(5-Benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)acetamide
• CAS No.: 88366-11-4
• Molecular Formula: C15H15N3O
• Molecular Weight: 253.304
• DSSTox Substance ID: DTXSID20518935
• Wikidata: Q82381801
• Mol file: 88366-11-4.mol

Synonyms:88366-11-4;N-(5-Benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)acetamide;DTXSID20518935

Chemical Property of N-(5-Benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)acetamide

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 253.121512110
• Heavy Atom Count: 19
• Complexity: 367

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NC(=C1C#N)NC(=O)C)CC2=CC=CC=C2

Technology Process of N-(5-Benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)acetamide

There total 1 articles about N-(5-Benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)acetamide 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:

acetic anhydride (108-24-7) + 2-amino-3-cyano-4-methyl-5-benzylpyrrole (63499-85-4) → 2-(acetylamino)-5-benzyl-4-methyl-3-pyrrolecarbonitrile (88366-11-4)

Guidance literature:

In acetic acid; for 0.333333h; Heating;

Reference yield: 76.0%

2-(acetylamino)-5-benzyl-4-methyl-3-pyrrolecarbonitrile (88366-11-4) → 6-Benzyl-2,5-dimethyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one (95927-54-1)

Guidance literature:

With phosphorus pentaoxide; N,N-dimethyl-cyclohexanamine; water; at 200 ℃; for 3h;

DOI:10.1055/s-1985-31126

Reference yield: 73.0%

2-(acetylamino)-5-benzyl-4-methyl-3-pyrrolecarbonitrile (88366-11-4) → 2-Acetylamino-5-benzyl-4-methyl-1H-pyrrole-3-carboxylic acid amide (96823-22-2)

Guidance literature:

With phosphoric acid; for 0.166667h; Heating;

DOI:10.1055/s-1985-31126

upstream raw materials:

acetic anhydride

2-amino-3-cyano-4-methyl-5-benzylpyrrole

Downstream raw materials:

6-Benzyl-3-(3-fluoro-phenyl)-2,5-dimethyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one

6-Benzyl-3-(4-fluoro-phenyl)-2,5-dimethyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one

6-Benzyl-3-(4-fluorophenyl)-3,7-dihydro-2,5-dimethyl-4H-pyrrolo<2,3-d>pyrimidin-4-imine

6-Benzyl-3-(4-chloro-phenyl)-2,5-dimethyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one