2-cyano-N-(2,5-dimethoxyphenyl)acetamide

Base Information

• Chemical Name: 2-cyano-N-(2,5-dimethoxyphenyl)acetamide
• CAS No.: 113604-07-2
• Molecular Formula: C11H12N2O3
• Molecular Weight: 220.22500
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID90407726
• Wikidata: Q82213055
• Mol file: 113604-07-2.mol

Synonyms:2-cyano-N-(2,5-dimethoxyphenyl)acetamide;113604-07-2;Acetamide, 2-cyano-N-(2,5-dimethoxyphenyl)-;DTXSID90407726;MFCD03382982;AKOS000181608

Chemical Property of 2-cyano-N-(2,5-dimethoxyphenyl)acetamide

Chemical Property:

• PSA: 71.35000
• LogP: 1.62898
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 220.08479225
• Heavy Atom Count: 16
• Complexity: 284

Purity/Quality:

97% ^*data from raw suppliers

2-Cyano-N-(2,5-dimethoxyphenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)OC)NC(=O)CC#N

Technology Process of 2-cyano-N-(2,5-dimethoxyphenyl)acetamide

There total 2 articles about 2-cyano-N-(2,5-dimethoxyphenyl)acetamide 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: 95.0%

cyanoacetic acid chloride (16130-58-8) + 2,5-dimethoxyaniline (102-56-7,102526-87-4) → 2-cyano-N-(2,5-dimethoxyphenyl)acetamide (113604-07-2)

Guidance literature:

With triethylamine; In dichloromethane;

Reference yield: 80.0%

cyanoacetic acid (372-09-8) + 2,5-dimethoxyaniline (102-56-7,102526-87-4) → 2-cyano-N-(2,5-dimethoxyphenyl)acetamide (113604-07-2)

Guidance literature:

cyanoacetic acid; With phosphorus pentachloride; In dichloromethane; at 40 ℃; for 0.5h;

2,5-dimethoxyaniline; In dichloromethane; at 40 ℃;

DOI:10.1021/acs.jmedchem.1c00466

Reference yield: 73.0%

Methyl formate (107-31-3) + 2-cyano-N-(2,5-dimethoxyphenyl)acetamide (113604-07-2) → 2-cyano-3-hydroxy-2,5-dimethoxyacrylanilide (113604-14-1,113604-15-2)

Guidance literature:

With sodium; In tetrahydrofuran; reflux, 6 h; RT, overnight;

upstream raw materials:

cyanoacetic acid chloride

2,5-dimethoxyaniline

cyanoacetic acid

Downstream raw materials:

2-cyano-3-hydroxy-2,5-dimethoxyacrylanilide

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