1-[5-(2-Aminophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one

Base Information

• Chemical Name: 1-[5-(2-Aminophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one
• CAS No.: 70400-97-4
• Molecular Formula: C13H14N2O
• Molecular Weight: 214.267
• ChEMBL ID: CHEMBL4079686
• DSSTox Substance ID: DTXSID20500153
• Nikkaji Number: J2.067.223D
• Wikidata: Q82351548

Synonyms:70400-97-4;CHEMBL4079686;1-[5-(2-Aminophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one;1-(5-(2-Aminophenyl)-2-methyl-1H-pyrrol-3-yl)ethanone;DTXSID20500153;BDBM50256404;88Y

Chemical Property of 1-[5-(2-Aminophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 214.110613074
• Heavy Atom Count: 16
• Complexity: 267

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: CC1=C(C=C(N1)C2=CC=CC=C2N)C(=O)C

Technology Process of 1-[5-(2-Aminophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one

There total 13 articles about 1-[5-(2-Aminophenyl)-2-methyl-1H-pyrrol-3-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: 97.0%

3-acetyl-2-methyl-5-(2-nitrophenyl)-1H-pyrrole (70400-96-3) → 3-acetyl-5-(2-aminophenyl)-2-methyl-1H-pyrrole (70400-97-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃;

DOI:10.1016/j.tet.2004.05.047

Reference yield: 45.0%

1-[4-Chloro-2-methyl-5-(2-nitro-phenyl)-1H-pyrrol-3-yl]-ethanone (83798-54-3) + acetic acid (64-19-7,77671-22-8) → 3-acetyl-5-(2-aminophenyl)-2-methyl-1H-pyrrole (70400-97-4) + 2-methyl-3-acetylpyrrolo<3,2-b>indole (77411-90-6) + 3-acetyl-5-(2-aminophenyl)-4-chloro-2-methylpyrrole (93424-97-6) + 3-acetyl-5-(2-N-acetylaminophenyl)-2-methylpyrrole (93424-90-9)

Guidance literature:

With iron; at 70 ℃; for 12h; Further byproducts given. Yields of byproduct given;

Reference yield: 25.0%

1-[4-Iodo-2-methyl-5-(2-nitro-phenyl)-1H-pyrrol-3-yl]-ethanone (83798-59-8) → 3-acetyl-5-(2-aminophenyl)-2-methyl-1H-pyrrole (70400-97-4) + 2-methyl-3-acetylpyrrolo<3,2-b>indole (77411-90-6) + 3-acetyl-5-(2-aminophenyl)-4-iodo-2-methylpyrrole (93425-01-5) + 3-acetyl-5-(2-N-acetylaminophenyl)-2-methylpyrrole (93424-90-9)

Guidance literature:

With iron; acetic acid; at 70 ℃; for 12h; Yield given. Title compound not separated from byproducts;

upstream raw materials:

3-acetyl-2-methyl-5-(2-nitrophenyl)-1H-pyrrole

1-[4-Chloro-2-methyl-5-(2-nitro-phenyl)-1H-pyrrol-3-yl]-ethanone

1-[4-Bromo-2-methyl-5-(2-nitro-phenyl)-1H-pyrrol-3-yl]-ethanone

1-[4-Iodo-2-methyl-5-(2-nitro-phenyl)-1H-pyrrol-3-yl]-ethanone

Downstream raw materials:

2-methyl-3-acetyl-5-(2-bromoacetanilido)pyrrole

1,2-bisanilino-2-(4-acetyl-5-methyl-2-yl)ethanone

2-methyl-3-acetyl-5-(2-triethylammoniumacetanilido)pyrrole bromide

5,6-dihydro-7-pyrrolo<1,2-d><1,4>benzodiazepin-6-one

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