2-Amino-3-methylbenzonitrile

Base Information

• Chemical Name: 2-Amino-3-methylbenzonitrile
• CAS No.: 69797-49-5
• Molecular Formula: C8H8N2
• Molecular Weight: 132.165
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID50445927
• Nikkaji Number: J2.791.741K
• Wikidata: Q82264479
• Mol file: 69797-49-5.mol

Synonyms:2-amino-3-methylbenzonitrile;69797-49-5;Benzonitrile, 2-amino-3-methyl-;MFCD09880087;SCHEMBL1379432;DTXSID50445927;PQXGRUUJIFRFGC-UHFFFAOYSA-N;CL8970;AKOS006281604;DS-1392;MB08131;SY110836;CS-0153707;FT-0712470;EN300-94982;A19077

Chemical Property of 2-Amino-3-methylbenzonitrile

Chemical Property:

• PSA: 49.81000
• LogP: 2.03008
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.9
• 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-3-methylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-3-methylbenzonitrile

There total 4 articles about 2-Amino-3-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: 96.0%

2-bromo-6-methylaniline (53848-17-2) + copper(I) cyanide (544-92-3) → 2-amino-3-methylbenzonitrile (69797-49-5)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 220 ℃; for 0.666667h; microwave irradiation;

Reference yield: 69.0%

3-methyl-2-nitrobenzonitrile (1885-77-4) → 2-amino-3-methylbenzonitrile (69797-49-5)

Guidance literature:

palladium; In ethanol; hexane;

Reference yield:

3-Methyl-2-nitrobenzenecarboxamide (60310-07-8) → 2-amino-3-methylbenzonitrile (69797-49-5)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride

2: tin dichloride; fuming hydrochloric acid

With hydrogenchloride; thionyl chloride; tin(ll) chloride;

upstream raw materials:

3-methyl-2-nitrobenzonitrile

3-Methyl-2-nitrobenzenecarboxamide

2-bromo-6-methylaniline

copper(I) cyanide

Downstream raw materials:

8-methyl-2-phenyl-3H,4H-quinazolin-4-one

2-amino-5-bromo-3-methylbenzonitrile

Refernces

• 1、 -. "Composition and methods for stimulating hair growth". . . Retrieved 2008/06/13.