2-cyano-N-mesitylacetamide

Base Information

• Chemical Name: 2-cyano-N-mesitylacetamide
• CAS No.: 24578-56-1
• Molecular Formula: C₁₂H₁₄N₂O
• Molecular Weight: 202.256
• Hs Code.: 2926909090
• NSC Number: 201649
• DSSTox Substance ID: DTXSID30308046
• Wikidata: Q82055710
• Mol file: 24578-56-1.mol

Synonyms:2-cyano-N-mesitylacetamide;24578-56-1;2-cyano-N-(2,4,6-trimethylphenyl)acetamide;NSC201649;CBMicro_022873;Cambridge id 5529705;Oprea1_334077;Oprea1_525192;SCHEMBL11141843;DTXSID30308046;HMS1765C22;CCG-10068;MFCD00278154;STK317968;AKOS000115294;NSC-201649;LS-02949;BIM-0022923.P001;CS-0307491;FT-0679400;EN300-01344;AB00087544-01;SR-01000421306;SR-01000421306-1;Z56824195

Chemical Property of 2-cyano-N-mesitylacetamide

Chemical Property:

• Vapor Pressure: 1.23E-05mmHg at 25°C
• Boiling Point: 368.9°Cat760mmHg
• PKA: -0.89±0.10(Predicted)
• Flash Point: 176.9°C
• PSA: 52.89000
• Density: 1.115g/cm³
• LogP: 2.53698
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 202.110613074
• Heavy Atom Count: 15
• Complexity: 267

Purity/Quality:

98%min ^*data from raw suppliers

2-Cyano-N-(2,4,6-trimethylphenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)NC(=O)CC#N)C

Technology Process of 2-cyano-N-mesitylacetamide

There total 1 articles about 2-cyano-N-mesitylacetamide 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:

cyanoacetic acid (372-09-8) + 2,4,6-trimethylaniline (88-05-1) → 2-Cyano-N-(2,4,6-trimethyl-phenyl)-acetamide (24578-56-1)

Guidance literature:

cyanoacetic acid; 2,4,6-trimethylaniline; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

With diisopropyl-carbodiimide; In tetrahydrofuran; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.bmc.2008.02.046

Reference yield: 20.0%

2-Cyano-N-(2,4,6-trimethyl-phenyl)-acetamide (24578-56-1) + acetyl chloride (75-36-5) → N-((2,4,6-trimethyl)phenyl)-2-cyano-3-hydroxybut-2-enamide

Guidance literature:

2-Cyano-N-(2,4,6-trimethyl-phenyl)-acetamide; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

acetyl chloride; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

With acetic acid; In tetrahydrofuran; Inert atmosphere;

DOI:10.1016/j.bmc.2008.02.046

upstream raw materials:

cyanoacetic acid

2,4,6-trimethylaniline

Refernces