2,4,6-Trimethylbenzamide

Base Information

• Chemical Name: 2,4,6-Trimethylbenzamide
• CAS No.: 4380-68-1
• Molecular Formula: C10H13NO
• Molecular Weight: 163.219
• Hs Code.: 2924299090
• European Community (EC) Number: 636-959-2
• NSC Number: 60056
• DSSTox Substance ID: DTXSID00289272
• Nikkaji Number: J356.917I
• Wikidata: Q82026497
• Mol file: 4380-68-1.mol

Synonyms:2,4,6-trimethylbenzamide;2,4,6-Trimethyl-benzamide;4380-68-1;NSC60056;2.4.6-Trimethylbenzamid;2,4,6-trimethylbenzenamide;SCHEMBL580023;DTXSID00289272;QQAUZRKAWHZNCH-UHFFFAOYSA-N;MFCD00025479;NSC-60056;AKOS009139329;AC-18689

Chemical Property of 2,4,6-Trimethylbenzamide

Chemical Property:

• Vapor Pressure: 0.0639mmHg at 25°C
• Boiling Point: 231°C at 760 mmHg
• Flash Point: 93.5°C
• PSA: 43.09000
• Density: 1.039g/cm³
• LogP: 2.41100
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 163.099714038
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

99%min ^*data from raw suppliers

2,4,6-TRIMETHYL-BENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,4,6-Trimethylbenzamide

There total 59 articles about 2,4,6-Trimethylbenzamide 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%

N-Mesitoyl-α-(3-oxohexy)leucin (79137-75-0) → 2-Methyl-4,7-decandion (79137-98-7) + 2,4,6-trimethylbenzamide (4380-68-1)

Guidance literature:

With lead(IV) acetate; N,N,N,N,N,N-hexamethylphosphoric triamide; In tetrahydrofuran; at 25 ℃; for 4h;

Reference yield: 91.0%

N-Mesitoyl-α-(3-oxobutyl)leucin (79137-74-9) → 7-methyl-octane-2,5-dione (53626-90-7) + 2,4,6-trimethylbenzamide (4380-68-1)

Guidance literature:

With manganese(II) oxide; In dichloromethane; for 12h; Ambient temperature;

DOI:10.1021/jo00232a051

Reference yield: 90.0%

N-Mesitoyl-α-(3-oxobutyl)-L-isoleucin (79137-72-7) → 2,4,6-trimethylbenzamide (4380-68-1) + (S)-6-Methyl-2,5-octandion (79137-96-5)

Guidance literature:

With lead(IV) acetate; N,N,N,N,N,N-hexamethylphosphoric triamide; In tetrahydrofuran; at 25 ℃; for 4h;

upstream raw materials:

cyanomesitylene

2,2,2-trichloro-1-mesityl-ethanone-imine

mesitylene-2-carboxylic acid chloride

methanol

Downstream raw materials:

(E)-N’-((1-(2-hydroxyethyl)-1H-indol-4-yl)methylene)-2-(mesityloxy)acetohydrazide

(E)-N’-((1H-indol-4-yl)methylene)-2-(mesitylamino)acetohydrazide

(E)-N’-((1H-indol-4-yl)methylene)-2-(mesitylamino)acetohydrazide

2-(mesitylamino)acetohydrazide

Refernces

• 1、 Sharif, Muhammad,Gong, Jin-Long,Langer, Peter,Beller, Matthias,Wu, Xiao-Feng. "A novel oxidative procedure for the synthesis of benzamides from styrenes and amines under metal-free conditions". . p. 4747 - 4750. Retrieved 2014/05/06.
• 2、 Moorthy, Jarugu Narasimha,Singhal, Nidhi. "Facile and highly selective conversion of nitriles to amides via indirect acid-catalyzed hydration using TFA or AcOH-H2SO4". . p. 1926 - 1929. Retrieved 2007/10/03.