N,3-dimethylbenzamide

Base Information

• Chemical Name: N,3-dimethylbenzamide
• CAS No.: 74786-81-5
• Molecular Formula: C9H11 N O
• Molecular Weight: 149.192
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID70359491
• Nikkaji Number: J3.145.356I
• Wikidata: Q82140718
• Mol file: 74786-81-5.mol

Synonyms:N,3-dimethylbenzamide;74786-81-5;N-Methyl-3-methylbenzamide;Benzamide,N,3-dimethyl-;3-methyl-N-methylbenzamide;SCHEMBL82080;DTXSID70359491;WKSODUAHKWBHQZ-UHFFFAOYSA-N;ZCA78681;MFCD01211937;AKOS008933243;CS-0326471

Chemical Property of N,3-dimethylbenzamide

Chemical Property:

• PSA: 32.59000
• LogP: 1.92940
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

99% ^*data from raw suppliers

N-3-DIMETHYL BENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N,3-dimethylbenzamide

There total 16 articles about N,3-dimethylbenzamide 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: 98.0%

methanol (67-56-1) + 3-Methylbenzonitrile (620-22-4) → m-methyl-N-methylbenzamide (74786-81-5)

Guidance literature:

With tris(2-diphenylphosphinoethyl)phosphine; potassium tert-butylate; water; caesium carbonate; cobalt(II) bromide; In m-xylene; at 140 ℃; for 24h; Green chemistry;

DOI:10.1021/acscatal.9b03916

Reference yield: 92.0%

3-methyl-N-methoxy-N-methylbenzamide (135754-82-4) → m-methyl-N-methylbenzamide (74786-81-5)

Guidance literature:

With o-phenylenebis(diphenylphosphine); triisobutylaluminum; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In hexane; at 150 ℃; for 6h; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1039/d0ob01815e

Reference yield: 91.0%

methylamine (74-89-5) + 3-Methylbenzoyl chloride (1711-06-4) → m-methyl-N-methylbenzamide (74786-81-5)

Guidance literature:

In diethyl ether;

DOI:10.1016/0040-4020(80)80046-9

upstream raw materials:

methylamine

3-Methylbenzoyl chloride

m-Toluic acid

methylamine hydrochloride

Downstream raw materials:

N-3-dimethyl-2-nitrobenzamide

2,7-dimethyl-3,4-diphenylisoquinolin-1(2H)-one

Refernces

• 1、 Ackermann, Lutz,Struwe, Julia,Zhang, Yan. "Rhodium-Catalyzed Electrooxidative C?H Olefination of Benzamides". supporting information. p. 15076 - 15080. Retrieved 2020/06/20.
• 2、 Suzuki, Hirotsugu,Shiomi, Takahiro,Yoneoka, Kenji,Matsuda, Takanori. "Dealkoxylation ofN-alkoxyamides without an external reductant driven by Pd/Al cooperative catalysis". supporting information. p. 7545 - 7548. Retrieved 2020/10/15.