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

Base Information

• Chemical Name: 2-cyano-N-(2-methylphenyl)acetamide
• CAS No.: 59736-34-4
• Molecular Formula: C10H10N2O
• Molecular Weight: 174.202
• Hs Code.: 2926909090
• European Community (EC) Number: 829-564-3
• NSC Number: 201648
• DSSTox Substance ID: DTXSID70308045
• Wikidata: Q82055706
• Mol file: 59736-34-4.mol

Synonyms:2-cyano-N-(2-methylphenyl)acetamide;59736-34-4;2-Cyano-N-o-tolyl-acetamide;2-cyano-N-(o-tolyl)acetamide;2-cyano-N-o-tolylacetamide;MFCD00816893;NSC201648;2-Cyano-N-(2-methylphenyl)-acetamide;Maybridge1_003324;Oprea1_007512;Oprea1_442780;SCHEMBL8625807;HMS550P02;DTXSID70308045;STK353612;AKOS000115278;BS-3944;NSC-201648;Acetamide, 2-cyano-N-(2-methylphenyl)-;BB 0218808;CS-0117401;FT-0679381;EN300-01296;C91139;3,5-DICHLORO-4-HYDROXYBENZENESULFONYLCHLORIDE;Z56809224;F1673-4729

Chemical Property of 2-cyano-N-(2-methylphenyl)acetamide

Chemical Property:

• Vapor Pressure: 5.55E-06mmHg at 25°C
• Boiling Point: 380.2°C at 760 mmHg
• Flash Point: 183.7°C
• PSA: 52.89000
• Density: 1.171g/cm³
• LogP: 1.92018
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 228

Purity/Quality:

2-Cyano-N-(2-methylphenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1NC(=O)CC#N

Technology Process of 2-cyano-N-(2-methylphenyl)acetamide

There total 4 articles about 2-cyano-N-(2-methylphenyl)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: 94.0%

cyanoacetic acid (372-09-8) + o-toluidine (95-53-4) → N-(2-methylphenyl)-2-cyanoacetamide (59736-34-4)

Guidance literature:

cyanoacetic acid; With phosphorus pentachloride; In dichloromethane; for 0.5h; Reflux;

o-toluidine; In dichloromethane; for 2h; Reflux;

DOI:10.1021/jm3002845

Reference yield: 50.0%

ethyl 2-cyanoacetate (105-56-6) + o-toluidine (95-53-4) → N-(2-methylphenyl)-2-cyanoacetamide (59736-34-4)

Guidance literature:

at 170 ℃; for 4h;

Reference yield:

1-cyanoacetyl-3,5-dimethylpyrazole (36140-83-7) + o-toluidine (95-53-4) → N-(2-methylphenyl)-2-cyanoacetamide (59736-34-4)

Guidance literature:

at 80 ℃;

DOI:10.1002/ardp.201800062

upstream raw materials:

ethyl 2-cyanoacetate

o-toluidine

cyanoacetic acid

1-cyanoacetyl-3,5-dimethylpyrazole

Downstream raw materials:

2,4-Dicyano-2-(2-cyano-ethyl)-N-o-tolyl-butyramide

2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid o-tolyl-amide

2-imino-5-hydroxymethyl-8-methyl-2H-pyrano[3,2-c]pyridin-3-[N-(2-methylphenyl)]carboxamide

2-amino-4-methylthio-6-oxo-N,1-di(o-tolyl)-N-(p-fluorophenyl)-5-cyano-1,6-dihydropyridine-3-carboxamide