3-Amino-4-methylbenzonitrile

Base Information

• Chemical Name: 3-Amino-4-methylbenzonitrile
• CAS No.: 60710-80-7
• Molecular Formula: C8H8 N2
• Molecular Weight: 132.165
• Hs Code.: 2926909090
• European Community (EC) Number: 810-719-9
• DSSTox Substance ID: DTXSID10426838
• Nikkaji Number: J3.025.917C
• Wikidata: Q72435135
• Mol file: 60710-80-7.mol

Synonyms:3-Amino-4-methylbenzonitrile;60710-80-7;Benzonitrile, 3-amino-4-methyl-;MFCD04039781;2-Amino-4-cyanotoluene;5-Cyano-2-methylaniline;3-Amino-4-methyl-benzonitrile;4-cyano-2-aminotoluene;2-Methyl-5-cyanoaniline;EC-000.1786;3-Amino-4-methylbenzonitril;SCHEMBL178452;DTXSID10426838;IEWMNQUBZPVSSV-UHFFFAOYSA-N;BBL103880;CL8993;STL557690;AKOS000144905;AC-2318;CS-W019309;PS-5263;SY018351;AM20040832;FT-0657607;EN300-60820;A20902;J-511620

Chemical Property of 3-Amino-4-methylbenzonitrile

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 81 °C
• Boiling Point: 312.817°C at 760 mmHg
• PKA: 2?+-.0.10(Predicted)
• Flash Point: 142.987°C
• PSA: 49.81000
• Density: 1.105g/cm³
• LogP: 2.03008
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 132.068748264
• Heavy Atom Count: 10
• Complexity: 156

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-4-methylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C#N)N

Technology Process of 3-Amino-4-methylbenzonitrile

There total 11 articles about 3-Amino-4-methylbenzonitrile 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: 97.0%

4-cyano-2-nitrotoluene (939-79-7) → 5-cyano-2-methylaniline (60710-80-7)

Guidance literature:

With hydrogen; In palladium-carbon;

Reference yield: 87.0%

3-Amino-4-methyl-benzamide (19406-86-1) → 5-cyano-2-methylaniline (60710-80-7)

Guidance literature:

at 315 ℃; for 1h; Temperature;

Reference yield: 84.0%

5-bromo-2-methylaniline (39478-78-9) + dicyanozinc (557-21-1) → 5-cyano-2-methylaniline (60710-80-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 80 ℃; for 2h;

DOI:10.1021/jm030434f

upstream raw materials:

4-cyano-2-nitrotoluene

4-(chloromethyl)-3-nitrobenzonitrile

hydrogen cyanide

5-chloro-2-methyl-benzenamine

Downstream raw materials:

(Z)-6-fluoro-N-(5-(N'-hydroxycarbamimidoyl)-2-methylphenyl)-imidazol[1,2-a]pyridine-3-carboxamide

3-amino-N-hydroxy-4-methylbenzimidamide

(R)-1,1,1-trifluoro-2-methyl-4-(3-(4-methyl-3-(7-methylimidazo[1,2-a]pyridine-3-carboxamido)phenyl)-1,2,4-oxadiazol-5-yl)butan-2-yl dihydrogen phosphate

6-(2-(hydroxymethyl)-4-methylthiazol-5-yl)-N-(2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-a]pyridine-3-carboxamide

Refernces

• 1、 Patil, Nilesh M.,Bhosale, Manohar A.,Bhanage, Bhalchandra M.. "Transfer hydrogenation of nitroarenes into anilines by palladium nanoparticles via dehydrogenation of dimethylamine borane complex". . p. 86529 - 86535. Retrieved 2015/11/03.
• 2、 -. "FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET". Page/Page column 36-37. . Retrieved 2009/09/05.