2,3-Dimethylbenzamide

Base Information

• Chemical Name: 2,3-Dimethylbenzamide
• CAS No.: 5580-34-7
• Molecular Formula: C9H11NO
• Molecular Weight: 149.192
• Hs Code.: 2924299090
• European Community (EC) Number: 676-612-2
• DSSTox Substance ID: DTXSID50384206
• Mol file: 5580-34-7.mol

Synonyms:2,3-dimethylbenzamide;5580-34-7;BENZAMIDE, 2,3-DIMETHYL-;Benzamide, 2,3-dimethyl- (6CI,8CI,9CI);SCHEMBL160022;DTXSID50384206;CHEBI:194754;MFCD00017570;AKOS008937732;MS-9466;CS-0317630;FT-0609706;A830814

Chemical Property of 2,3-Dimethylbenzamide

Chemical Property:

• Vapor Pressure: 0.0441mmHg at 25°C
• Melting Point: 154 °C
• Refractive Index: 1.55
• Boiling Point: 237.7 °C at 760 mmHg
• PKA: 16.13±0.50(Predicted)
• Flash Point: 97.6 °C
• PSA: 43.09000
• Density: 1.06 g/cm³
• LogP: 2.10260
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dimethylbenzamide ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3-Dimethylbenzamide

There total 5 articles about 2,3-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:

2,3-dimethylbenzonitrile (5724-56-1) → 2,3-dimethylbenzamide (5580-34-7) + 2,3-dimethylbenzoic acid (603-79-2)

Guidance literature:

With sodium hydroxide;

Reference yield:

o-xylene (95-47-6) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → 3,4-dimethylbenzamide (5580-33-6) + 2,3-dimethylbenzamide (5580-34-7)

Guidance literature:

o-xylene; N-Cyanoguanidine; With trifluorormethanesulfonic acid; at 60 ℃; for 2h;

With water; Cooling;

DOI:10.1016/j.tetlet.2012.06.135

Reference yield:

2,3-dimethylbenzonitrile (5724-56-1) → 2,3-dimethylbenzamide (5580-34-7)

Guidance literature:

With sulfuric acid; at 70 ℃;

DOI:10.1002/ps.2780410210

upstream raw materials:

2,3-dimethylbenzonitrile

2,3-Dimethylaniline

2,3-dimethylbenzoic acid

o-xylene

Downstream raw materials:

2,3-dimethylbenzonitrile

N-(2,6-dimethylphenyl)-2,3-dimethylbenzamide

C₁₅H₁₄BrNO

C₁₆H₁₇NO

Refernces

• 1、 Oikawa,Nakagawa,Nishimura,Ueno,Fujita. "Quantitative structure-activity analysis of larvicidal 1-(substituted benzoyl)-2-benzoyl-1-tert-butylhydrazines against Chilo suppressalis". . p. 139 - 148. Retrieved 2007/10/03.