5-(4-amino-2-fluorophenyl)-1-methyl-1H-pyrrole-2-carbonitrile

Base Information

Chemical Name:5-(4-amino-2-fluorophenyl)-1-methyl-1H-pyrrole-2-carbonitrile
CAS No.:922505-85-9
Molecular Formula:C12H10FN3
Molecular Weight:215.23
Hs Code.:
DSSTox Substance ID:DTXSID80581564
Wikidata:Q82472744

Synonyms:5-(4-amino-2-fluorophenyl)-1-methyl-1H-pyrrole-2-carbonitrile;922505-85-9;SCHEMBL4609829;DTXSID80581564;MGFMZAUPZJHQAW-UHFFFAOYSA-N

Suppliers and Price of 5-(4-amino-2-fluorophenyl)-1-methyl-1H-pyrrole-2-carbonitrile

Supply Marketing:

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

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

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:215.08587549
Heavy Atom Count:16
Complexity:298

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

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

There total 2 articles about 5-(4-amino-2-fluorophenyl)-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: 98.0%

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

: 656-65-5
3-fluoro-4-bromophenylamine

: 922505-85-9
5-(4-amino-2-fluorophenyl)-1-methyl-1H-pyrrole-2-carbonitrile

Guidance literature:: (5-cyano-1-methyl-1H-pyrrol-2-yl)boronic acid; 3-fluoro-4-bromophenylamine; With potassium fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In tetrahydrofuran; for 0.166667h;

tri-tert-butyl phosphine; In tetrahydrofuran; hexanes; at 25 ℃; for 16h;

Reference yield:

: 96-54-8
N-Methylpyrrole

: 922505-85-9
5-(4-amino-2-fluorophenyl)-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