5-(4-aminophenyl)-1-methyl-1H-pyrrole-2-carbonitrile

Base Information

Chemical Name:5-(4-aminophenyl)-1-methyl-1H-pyrrole-2-carbonitrile
CAS No.:921631-37-0
Molecular Formula:C12H11N3
Molecular Weight:197.239
Hs Code.:
ChEMBL ID:CHEMBL2203817
DSSTox Substance ID:DTXSID20581563
Wikidata:Q82472743

Synonyms:921631-37-0;5-(4-aminophenyl)-1-methyl-1H-pyrrole-2-carbonitrile;SCHEMBL3173849;CHEMBL2203817;DTXSID20581563;JZAVMYVQBMKQNC-UHFFFAOYSA-N

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5-(4-aminophenyl)-1-methyl-1H-pyrrole-2-carbonitrile

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:197.095297364
Heavy Atom Count:15
Complexity:259

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1C(=CC=C1C2=CC=C(C=C2)N)C#N

Technology Process of 5-(4-aminophenyl)-1-methyl-1H-pyrrole-2-carbonitrile

There total 3 articles about 5-(4-aminophenyl)-1-methyl-1H-pyrrole-2-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:

: 860617-71-6
(5-cyano-1-methyl-1H-pyrrol-2-yl)boronic acid

: 106-40-1
4-bromo-aniline

: 921631-37-0
5-(4-aminophenyl)-1-methyl-1H-pyrrole-2-carbonitrile

Guidance literature:: (5-cyano-1-methyl-1H-pyrrol-2-yl)boronic acid; 4-bromo-aniline; With potassium fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In tetrahydrofuran; for 0.166667h;

tri-tert-butyl phosphine; In tetrahydrofuran; hexanes; at 25 ℃; for 5h;

Reference yield:

: 96-54-8
N-Methylpyrrole

: 921631-37-0
5-(4-aminophenyl)-1-methyl-1H-pyrrole-2-carbonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: acetonitrile / -78 °C

2: lithium diisopropyl amide / tetrahydrofuran / -78 °C

3: potassium fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine / tetrahydrofuran

With potassium fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine; lithium diisopropyl amide; In tetrahydrofuran; acetonitrile;
DOI:10.1016/j.bmcl.2012.09.077

Reference yield:

: 34884-10-1
1-methyl-1H-pyrrole-2-carbonitrile

: 921631-37-0
5-(4-aminophenyl)-1-methyl-1H-pyrrole-2-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: lithium diisopropyl amide / tetrahydrofuran / -78 °C

2: potassium fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine / tetrahydrofuran

With potassium fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine; lithium diisopropyl amide; In tetrahydrofuran;
DOI:10.1016/j.bmcl.2012.09.077