2-Amino-4-methylbenzonitrile

Base Information

• Chemical Name: 2-Amino-4-methylbenzonitrile
• CAS No.: 26830-96-6
• Molecular Formula: C8H8N2
• Molecular Weight: 132.165
• Hs Code.: 29269090
• European Community (EC) Number: 248-020-0
• DSSTox Substance ID: DTXSID00181323
• Nikkaji Number: J249.055B
• Wikidata: Q72439181
• Mol file: 26830-96-6.mol

Synonyms:2-Amino-4-methylbenzonitrile;26830-96-6;2-Cyano-5-methylaniline;Benzonitrile, 2-amino-4-methyl-;MFCD00173706;6-Cyano-m-toluidine;EINECS 248-020-0;2-Amino-4-Methyl-Benzonitrile;3-Amino-4-cyanotoluene;4-METHYL-2-AMINOBENZONITRILE;4-methylanthranilonitrile;2-amino-4methylbenzonitrile;SCHEMBL60977;BIDD:GT0072;2-Amino-4-methyl benzonitrile;DTXSID00181323;LGNVAEIITHYWCG-UHFFFAOYSA-N;2-AMINO-4-METHYLBENZONITRIL;2-Amino-4-methylbenzonitrile, 97%;CL8142;AKOS005146260;AB04357;AC-4020;CS-W008109;PS-4703;SY020331;AM20060053;FT-0611123;EN300-125624;J-016566;InChI=1/C8H8N2/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,10H2,1H

Chemical Property of 2-Amino-4-methylbenzonitrile

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 92-95 °C(lit.)
• Refractive Index: 1.576
• Boiling Point: 301.2 °C at 760 mmHg
• PKA: 1.94±0.10(Predicted)
• Flash Point: 136 °C
• PSA: 49.81000
• Density: 1.105/cm³
• LogP: 2.03008
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.6
• 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:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn,T
• Hazard Codes: Xn,T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C#N)N
• Uses: 2-Amino-4-methylbenzonitrile was used in the synthesis of: 7-methyl-4-(phenylamino)quinazoline-2(1H)-seloneracemic aminoquinolines, potential acetylcholinesterase (AChE) inhibitors

Technology Process of 2-Amino-4-methylbenzonitrile

There total 8 articles about 2-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: 100.0%

4-methyl-2-nitrobenzonitrile (26830-95-5) → 5-methyl-2-cyanoaniline (26830-96-6)

Guidance literature:

With hydrazine hydrate; In ethanol; at 78 ℃; for 25h;

DOI:10.1039/c1cc12422f

Reference yield: 79.0%

C8H6N4 → 5-methyl-2-cyanoaniline (26830-96-6)

Guidance literature:

With ammonium hydroxide; at 90 ℃; for 5h;

DOI:10.1080/00397910701739097

Reference yield:

2-chloro-5-methylaniline (95-81-8) + urea (57-13-6) → 5-methyl-2-cyanoaniline (26830-96-6)

Guidance literature:

With nickel(II) acetylacetonate; potassium fluoride; phenylsilane; zinc; bis(2-diphenylphosphinoethyl)phenylphosphine; In 1-methyl-pyrrolidin-2-one; at 90 - 140 ℃; for 20h;

DOI:10.1038/s41467-020-17939-2

upstream raw materials:

4-methyl-2-nitrobenzonitrile

hydrogenchloride

4-methyl-2-nitroaniline

4-methyl-2-nitrobenzenediazonium

Downstream raw materials:

N-(2-cyano-5-methylphenyl)acetamide

7-methyl-quinazolin-4(3H)-one

5-Methyl-8-chinolincarbonsaeure

4-methylphthalonitrile