3-Amino4-(2-hydroxyethylamino)benzonitrile

Base Information

Chemical Name:3-Amino4-(2-hydroxyethylamino)benzonitrile
CAS No.:221289-93-6
Molecular Formula:C₉H₁₁N₃O
Molecular Weight:177.206
Hs Code.:
DSSTox Substance ID:DTXSID301253996

Synonyms:3-Amino-4-[(2-hydroxyethyl)amino]benzonitrile;221289-93-6;3-amino4-(2-hydroxyethylamino)benzonitrile;SCHEMBL6187977;MTCHBRIJSNKSGL-UHFFFAOYSA-N;DTXSID301253996;DB-136312;3-amino-4-(2-hydroxyethylamino)benzonitrile

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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 3-Amino4-(2-hydroxyethylamino)benzonitrile

Chemical Property:

XLogP3:0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:177.090211983
Heavy Atom Count:13
Complexity:198

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=C(C=C1C#N)N)NCCO

Technology Process of 3-Amino4-(2-hydroxyethylamino)benzonitrile

There total 4 articles about 3-Amino4-(2-hydroxyethylamino)benzonitrile 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: 89.5%

: 90349-40-9
4-(2'-hydroxyethyl)amino-3-nitrobenzonitrile

: 221289-93-6
3-amino-4-((2-hydroxyethyl)amino)benzonitrile

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; under 2068.59 Torr;
DOI:10.1016/S0968-0896(02)00103-7

Reference yield:

: tin(IV) chloride dihydrate

: 90349-40-9
4-(2'-hydroxyethyl)amino-3-nitrobenzonitrile

: 221289-93-6
3-amino-4-((2-hydroxyethyl)amino)benzonitrile

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; ethanol;

Reference yield:

: 939-80-0
4-chloro-3-nitrobenzonitrile

: 221289-93-6
3-amino-4-((2-hydroxyethyl)amino)benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 91 percent / DMF / Heating

2: 89.5 percent / hydrogen / 10 percent Pd/C / ethanol / 2068.59 Torr

With hydrogen; N,N-dimethyl-formamide; palladium on activated charcoal; In ethanol;
DOI:10.1016/S0968-0896(02)00103-7