3-Acetyl-2-amino-5,6-dimethylbenzonitrile

Base Information

• Chemical Name: 3-Acetyl-2-amino-5,6-dimethylbenzonitrile
• CAS No.: 73318-15-7
• Molecular Formula: C11H12N2O
• Molecular Weight: 188.229
• ChEMBL ID: CHEMBL355210
• DSSTox Substance ID: DTXSID30502901
• Wikidata: Q82356301

Synonyms:3-Acetyl-2-amino-5,6-dimethylbenzonitrile;73318-15-7;CHEMBL355210;DTXSID30502901

Chemical Property of 3-Acetyl-2-amino-5,6-dimethylbenzonitrile

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 188.094963011
• Heavy Atom Count: 14
• Complexity: 278

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C)C#N)N)C(=O)C

Technology Process of 3-Acetyl-2-amino-5,6-dimethylbenzonitrile

There total 1 articles about 3-Acetyl-2-amino-5,6-dimethylbenzonitrile 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: 99.0%

5-Acetyl-6-amino-3-hydroxy-2,3-dimethyl-1,5-cyclohexadien-1-carbonitrile (73369-26-3) → 3-Acetyl-5,6-dimethylanthranilonitrile (73318-15-7)

Guidance literature:

With hydrogenchloride; acetic acid; for 24h; Ambient temperature;

DOI:10.1055/s-1980-28925

Reference yield: 97.0%

3-Acetyl-5,6-dimethylanthranilonitrile (73318-15-7) + trifluoroacetyl chloride (76-02-8) → 3-cyano-4,5-dimethyl-2-(2,2,2-trichloroacetamido)acetophenone (89638-38-0)

Guidance literature:

at 125 - 130 ℃; for 3h;

DOI:10.1021/jm00372a012

Reference yield: 86.0%

3-Acetyl-5,6-dimethylanthranilonitrile (73318-15-7) + 2-Bromoacetyl bromide (598-21-0) → 2-(2-bromoacetamido)-3-cyano-4,5-dimethylacetophenone (89638-46-0)

Guidance literature:

With sodium hydrogencarbonate; In chloroform; at 0 - 20 ℃; for 24h;

DOI:10.1021/jm00372a012

upstream raw materials:

5-Acetyl-6-amino-3-hydroxy-2,3-dimethyl-1,5-cyclohexadien-1-carbonitrile

Downstream raw materials:

8-Cyano-4,6,7-trimethyl-3,4-dihydroquinazoline

2-(2-bromoacetamido)-3-cyano-4,5-dimethylacetophenone

3-cyano-4,5-dimethyl-2-(2,2,2-trichloroacetamido)acetophenone

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