2-cyano-N-(3-methoxyphenyl)acetamide

Base Information

• Chemical Name: 2-cyano-N-(3-methoxyphenyl)acetamide
• CAS No.: 91818-29-0
• Molecular Formula: C10H10N2O2
• Molecular Weight: 190.202
• Hs Code.: 2926909090
• European Community (EC) Number: 853-903-4
• DSSTox Substance ID: DTXSID70357159
• Wikidata: Q82136934
• Mol file: 91818-29-0.mol

Synonyms:2-cyano-N-(3-methoxyphenyl)acetamide;91818-29-0;2-Cyano-N-(3-methoxy-phenyl)-acetamide;Oprea1_025665;DTXSID70357159;MFCD01358816;STK422110;AKOS000115308;LS-02943;CS-0117406;FT-0679392;EN300-01307;AM-879/12270589;Z56812789

Chemical Property of 2-cyano-N-(3-methoxyphenyl)acetamide

Chemical Property:

• Vapor Pressure: 1.61E-07mmHg at 25°C
• Boiling Point: 427.7°C at 760 mmHg
• PKA: -0.97±0.10(Predicted)
• Flash Point: 212.4°C
• PSA: 62.12000
• Density: 1.216g/cm³
• LogP: 1.62038
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 190.074227566
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

98%min ^*data from raw suppliers

2-Cyano-N-(3-methoxyphenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-cyano-N-(3-methoxyphenyl)acetamide

There total 4 articles about 2-cyano-N-(3-methoxyphenyl)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: 84.0%

m-Anisidine (536-90-3,918666-97-4) + 1-cyanoacetyl-3,5-dimethylpyrazole (36140-83-7) → 2-cyano-N-(3-methoxyphenyl)acetamide (91818-29-0)

Guidance literature:

In toluene; at 20 - 80 ℃; for 4h;

DOI:10.1021/acs.jmedchem.7b00463

Reference yield: 75.0%

m-Anisidine (536-90-3,918666-97-4) + cyanoacetic acid (372-09-8) → 2-cyano-N-(3-methoxyphenyl)acetamide (91818-29-0)

Guidance literature:

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

m-Anisidine; In dichloromethane; at 40 ℃;

DOI:10.1021/acs.jmedchem.1c00466

Reference yield:

m-Anisidine (536-90-3,918666-97-4) + ethyl 2-cyanoacetate (105-56-6) → 2-cyano-N-(3-methoxyphenyl)acetamide (91818-29-0)

Guidance literature:

at 100 ℃; for 4.5h;

DOI:10.1080/00304940109356589

upstream raw materials:

m-Anisidine

ethyl 2-cyanoacetate

1-cyanoacetyl-3,5-dimethylpyrazole

cyanoacetic acid

Downstream raw materials:

(E)-2-Cyano-3-hydroxy-N-(3-methoxy-phenyl)-acrylamide

(E)-2-Cyano-3-dimethylamino-N-(3-methoxy-phenyl)-acrylamide

N-(3-methoxy-phenyl)-2-thiocarbamoyl-acetamide

2-chloro-7-methoxy-3-quinolinecarbonitrile

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