N-(2,4,6-Trimethylphenyl)acetamide

Base Information

• Chemical Name: N-(2,4,6-Trimethylphenyl)acetamide
• CAS No.: 5096-21-9
• Molecular Formula: C11H15NO
• Molecular Weight: 177.246
• Hs Code.: 2924299090
• European Community (EC) Number: 664-792-5
• NSC Number: 11349
• UNII: Y38GVE8DGZ
• DSSTox Substance ID: DTXSID20198973
• Nikkaji Number: J14.560B
• Wikidata: Q83071855
• Mol file: 5096-21-9.mol

Synonyms:N-(2,4,6-Trimethylphenyl)acetamide;N-mesitylacetamide;Acetomesidide;5096-21-9;2,4,6-Trimethylacetanilide;Acetamide, N-(2,4,6-trimethylphenyl)-;ACETANILIDE, 2',4',6'-TRIMETHYL-;NSC 11349;Y38GVE8DGZ;AI3-52510;NSC-11349;Acetamide, N-(2,4,6-trimethylphenyl)- (9CI);N-[2,4,6-trimethylphenyl]acetamide;NSC11349;2,6-Trimethylacetanilide;UNII-Y38GVE8DGZ;2',6'-Trimethylacetanilide;Acetanilide,4',6'-trimethyl-;SCHEMBL2902943;Acetamide,4,6-trimethylphenyl)-;DTXSID20198973;WLN: 1VMR B1 D1 F1;AKOS002951787;N-(2,4,6-trimethyl-phenyl)-acetamide;CS-0331933;VU0447137-1;AG-205/03206010

Chemical Property of N-(2,4,6-Trimethylphenyl)acetamide

Chemical Property:

• Vapor Pressure: 0.00197mmHg at 25°C
• Melting Point: 216.5°C
• Refractive Index: 1.5480 (estimate)
• Boiling Point: 291.2°C at 760 mmHg
• Flash Point: 170.1°C
• PSA: 29.10000
• Density: 1.034g/cm³
• LogP: 2.64320
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

N-(2,4,6-TRIMETHYL-PHENYL)-ACETAMIDE 95.00% ^*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)C)C

Technology Process of N-(2,4,6-Trimethylphenyl)acetamide

There total 20 articles about N-(2,4,6-Trimethylphenyl)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: 100.0%

acetic anhydride (108-24-7) + 2,4,6-trimethylaniline (88-05-1) → N-mesitylacetamide (5096-21-9)

Guidance literature:

at 0 - 20 ℃; for 2.5h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.organomet.6b00063

Reference yield: 99.0%

acetyl chloride (75-36-5) + 2,4,6-trimethylaniline (88-05-1) → N-mesitylacetamide (5096-21-9)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 2.08333h;

Reference yield: 84.0%

mesityl(phenyl)[tetrakis(pentafluorophenyl)borato]-λ3-chlorane + acetonitrile (75-05-8,26809-02-9) → N-mesitylacetamide (5096-21-9)

Guidance literature:

With 2,6-di-tert-butyl-pyridine; at 50 ℃; for 24h; Inert atmosphere;

DOI:10.1021/jacs.9b02436

upstream raw materials:

E-1-(2,4,6-trimethylphenyl)ethanone oxime

2,4,6-Trimethylacetophenone

acetic anhydride

2,4,6-trimethylaniline

Downstream raw materials:

N-acetyl-2,4,6-trimethyldiphenylamine

N-mesityl-N-methylacetamide

acetic acid-(2,4,6-trimethyl-3-nitro-anilide)

Refernces

• 1、 Pandia, Biplab Keshari,Gunanathan, Chidambaram. "Manganese(I) Catalyzed α-Alkenylation of Amides Using Alcohols with Liberation of Hydrogen and Water". . p. 9994 - 10005. Retrieved 2021/07/31.
• 2、 Kalla, Reddi Mohan Naidu,Reddy, Sirigireddy Sudharsan,Kim, Il. "Acylation of Phenols, Alcohols, Thiols, Amines and Aldehydes Using Sulfonic Acid Functionalized Hyper-Cross-Linked Poly(2-naphthol) as a Solid Acid Catalyst". . p. 2696 - 2705. Retrieved 2019/05/28.