2-amino-1-(4-methoxyphenyl)-4-phenyl-1H-pyrrole-3-carbonitrile

Base Information

• Chemical Name: 2-amino-1-(4-methoxyphenyl)-4-phenyl-1H-pyrrole-3-carbonitrile
• CAS No.: 61404-71-5
• Molecular Formula: C18H15N3O
• Molecular Weight: 289.337
• ChEMBL ID: CHEMBL1910735
• DSSTox Substance ID: DTXSID10486593
• Nikkaji Number: J1.377.317C
• Wikidata: Q82327786

Synonyms:61404-71-5;2-amino-1-(4-methoxyphenyl)-4-phenyl-1H-pyrrole-3-carbonitrile;ST087812;CHEMBL1910735;DTXSID10486593;AKOS005605234

Chemical Property of 2-amino-1-(4-methoxyphenyl)-4-phenyl-1H-pyrrole-3-carbonitrile

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 289.121512110
• Heavy Atom Count: 22
• Complexity: 404

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)N2C=C(C(=C2N)C#N)C3=CC=CC=C3

Technology Process of 2-amino-1-(4-methoxyphenyl)-4-phenyl-1H-pyrrole-3-carbonitrile

There total 2 articles about 2-amino-1-(4-methoxyphenyl)-4-phenyl-1H-pyrrole-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:

2-((4-methoxyphenyl)amino)-1-phenylethanone (5883-82-9) + malononitrile (109-77-3) → 2-amino-1-(4-methoxyphenyl)-4-phenyl-1H-pyrrole-3-carbonitrile (61404-71-5)

Guidance literature:

With sodium ethanolate; In ethanol; Reflux;

DOI:10.1016/j.ejmech.2011.10.030

Reference yield:

→ 2-amino-1-(4-methoxyphenyl)-4-phenyl-1H-pyrrole-3-carbonitrile (61404-71-5)

Guidance literature:

2-Cyan-3-brommethylzimtsaeurenitril, p-Methoxyanilin;

Reference yield: 94.0%

Benzylidenemalononitrile (2700-22-3) + 2-amino-1-(4-methoxyphenyl)-4-phenyl-1H-pyrrole-3-carbonitrile (61404-71-5) → 4-amino-5-cyano-3,6-diphenyl-1-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

Guidance literature:

With piperidine; In ethanol; for 8h; Reflux;

DOI:10.3390/molecules22030461

upstream raw materials:

2-((4-methoxyphenyl)amino)-1-phenylethanone

malononitrile

Downstream raw materials:

7-(4-Chloro-phenyl)-5-phenyl-1,7-dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dithione

7-(4-Methoxy-phenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine

7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4(3H)-one

N-[3-cyano-1-(4-methoxy-phenyl)-4-phenyl-1H-pyrrol-2-yl]-formimidic acid ethyl ester

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