N-(6-Acetyl-2-cyano-3,4-dimethylphenyl)-2-bromoacetamide

Base Information

Chemical Name:N-(6-Acetyl-2-cyano-3,4-dimethylphenyl)-2-bromoacetamide
CAS No.:89638-46-0
Molecular Formula:C13H13BrN2O2
Molecular Weight:309.162
Hs Code.:
ChEMBL ID:CHEMBL167815
DSSTox Substance ID:DTXSID30518986
Wikidata:Q82381876

Synonyms:89638-46-0;N-(6-Acetyl-2-cyano-3,4-dimethylphenyl)-2-bromoacetamide;CHEMBL167815;DTXSID30518986

Suppliers and Price of N-(6-Acetyl-2-cyano-3,4-dimethylphenyl)-2-bromoacetamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of N-(6-Acetyl-2-cyano-3,4-dimethylphenyl)-2-bromoacetamide

Chemical Property:

PSA：73.45000
LogP:3.36058
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:308.01604
Heavy Atom Count:18
Complexity:388

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of N-(6-Acetyl-2-cyano-3,4-dimethylphenyl)-2-bromoacetamide

There total 2 articles about N-(6-Acetyl-2-cyano-3,4-dimethylphenyl)-2-bromoacetamide 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: 86.0%

: 73318-15-7
3-Acetyl-5,6-dimethylanthranilonitrile

: 598-21-0
2-Bromoacetyl bromide

: 89638-46-0
2-(2-bromoacetamido)-3-cyano-4,5-dimethylacetophenone

Guidance literature:: With sodium hydrogencarbonate; In chloroform; at 0 - 20 ℃; for 24h;
DOI:10.1021/jm00372a012

Reference yield:

: 73369-26-3
5-Acetyl-6-amino-3-hydroxy-2,3-dimethyl-1,5-cyclohexadien-1-carbonitrile

: 89638-46-0
2-(2-bromoacetamido)-3-cyano-4,5-dimethylacetophenone

Guidance literature:: Multi-step reaction with 2 steps

1: 64.2 percent / glacial CH₃COOH, conc. H₂SO₄ / 3 h / Ambient temperature

2: 86 percent / NaHCO₃ / CHCl₃ / 24 h / 0 - 20 °C

With sulfuric acid; sodium hydrogencarbonate; acetic acid; In chloroform;
DOI:10.1021/jm00372a012