4-Amino-3-(methylamino)benzonitrile

Base Information

Chemical Name:4-Amino-3-(methylamino)benzonitrile
CAS No.:64910-49-2
Molecular Formula:C8H9N3
Molecular Weight:147.18
Hs Code.:
European Community (EC) Number:961-491-3

Synonyms:4-amino-3-(methylamino)benzonitrile;64910-49-2;4-amino-3-methylamino-benzonitrile;SCHEMBL2248326;NRISBPKZFFXEHJ-UHFFFAOYSA-N;MFCD13192643;AKOS006340699;AT37015;FT-0749418;EN300-138294;Z1203580432

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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 4-Amino-3-(methylamino)benzonitrile

Chemical Property:

XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:147.079647300
Heavy Atom Count:11
Complexity:169

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CNC1=C(C=CC(=C1)C#N)N

Technology Process of 4-Amino-3-(methylamino)benzonitrile

There total 9 articles about 4-Amino-3-(methylamino)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: 100.0%

: 64910-48-1
3-N-(methylamino)-4-nitrobenzonitrile

: 64910-49-2
4-amino-3-(methylamino)benzonitrile

Guidance literature:: With hydrogen; palladium 10% on activated carbon; In methanol; ethyl acetate; for 4h;

Reference yield:

: 5081-36-7
3-methoxy-4-nitrobenzoic acid

: 64910-49-2
4-amino-3-(methylamino)benzonitrile

Guidance literature:: Multi-step reaction with 5 steps

1: (COCl)2 / tetrahydrofuran; dimethylformamide / 1 h / 0 °C

2: NH₃ / tetrahydrofuran / 0 °C

3: TFA; Et₃N / tetrahydrofuran / 1 h

4: 92 percent / dimethylsulfoxide; H₂O / 2 h / 75 °C

5: 98 percent / H₂ / 10percent Pd/C / methanol; ethyl acetate / 1.5 h

With oxalyl dichloride; ammonia; hydrogen; triethylamine; trifluoroacetic acid; 10percent Pd/C; In tetrahydrofuran; methanol; water; dimethyl sulfoxide; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1021/jm0100638

Reference yield:

: 92241-87-7
3-methoxy-4-nitrobenzamide

: 64910-49-2
4-amino-3-(methylamino)benzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: TFA; Et₃N / tetrahydrofuran / 1 h

2: 92 percent / dimethylsulfoxide; H₂O / 2 h / 75 °C

3: 98 percent / H₂ / 10percent Pd/C / methanol; ethyl acetate / 1.5 h

With hydrogen; triethylamine; trifluoroacetic acid; 10percent Pd/C; In tetrahydrofuran; methanol; water; dimethyl sulfoxide; ethyl acetate;
DOI:10.1021/jm0100638