N,2-Dimethylbenzamide

Base Information

• Chemical Name: N,2-Dimethylbenzamide
• CAS No.: 2170-09-4
• Molecular Formula: C9H11 N O
• Molecular Weight: 149.192
• Hs Code.: 2924299090
• European Community (EC) Number: 218-519-8
• NSC Number: 17875
• UNII: 59M98XD933
• DSSTox Substance ID: DTXSID50176087
• Nikkaji Number: J236.155H
• Wikidata: Q83046419
• Mol file: 2170-09-4.mol

Synonyms:N,2-Dimethylbenzamide;N-Methyl-o-toluamide;2170-09-4;N-Methyl-2-toluamide;Benzamide, N,2-dimethyl-;N-methyl-2-methylbenzamide;NSC-17875;59M98XD933;NSC17875;2,n-dimethyl-benzamide;N,2-Dimethylbenzamide #;o-methyl-N-methyl benzamide;SCHEMBL311564;UNII-59M98XD933;OABGZRFNYNFHCS-UHFFFAOYSA-;DTXSID50176087;O-METHYL-N-METHYLBENZAMIDE;CAA17009;EINECS 218-519-8;MFCD00008287;NSC 17875;AKOS008933329;AI3-30032;CS-0333599;FT-0634090;AP-065/40324499

Chemical Property of N,2-Dimethylbenzamide

Chemical Property:

• Vapor Pressure: 0.00429mmHg at 25°C
• Melting Point: 73-77 °C
• Refractive Index: 1.524
• Boiling Point: 278.3°Cat760mmHg
• PKA: 15.02±0.46(Predicted)
• Flash Point: 158.5°C
• PSA: 29.10000
• Density: 1.021g/cm³
• LogP: 1.74550
• Storage Temp.: 2-8°C
• XLogP3: 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,2-Dimethylbenzamide 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(=O)NC

Technology Process of N,2-Dimethylbenzamide

There total 28 articles about N,2-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: 89.0%

ortho-methylbenzoic acid (118-90-1) + methylamine (74-89-5) → N,2-dimethylbenzamide (2170-09-4)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; Inert atmosphere;

DOI:10.1002/anie.201907366

Reference yield: 86.0%

2-methyl-N-methoxy-N-methylbenzamide (130250-61-2) → N,2-dimethylbenzamide (2170-09-4)

Guidance literature:

With 3C₁₂H₁₆O₈S₂^(2-)*6Na⁽¹⁺⁾*C₅₈H₄₂N₂; triethylamine; In water; at 20 ℃; for 24h; Irradiation;

DOI:10.1055/a-1652-2707

Reference yield: 76.0%

ortho-toluoyl chloride (933-88-0) + methylamine (74-89-5) → N,2-dimethylbenzamide (2170-09-4)

Guidance literature:

In diethyl ether;

DOI:10.1002/jhet.5570380307

upstream raw materials:

ortho-toluoyl chloride

methylamine

ortho-methylbenzoic acid

C₁₃H₁₉NO₂Si

Downstream raw materials:

4-hydroxyl-1-methyl-4-(2-N-methylcarbamoylbenzyl)piperidine

1'-benzyl-spiro[isochroman-3,4'-piperidin]-1-one

2-(1-Benzyl-4-hydroxy-piperidin-4-ylmethyl)-N-methyl-benzamide

2,N-Dimethyl-N-[(E)-(3-phenyl-acryloyl)]-benzamide

Refernces

• 1、 Abe, Manabu,Akita, Munetaka,Chitose, Youhei,Hyodo, Yuki,Koike, Takashi,Takahashi, Keigo,Yoshizawa, Michito. "Assemblies of 1,4-Bis(diarylamino)naphthalenes and Aromatic Amphiphiles: Highly Reducing Photoredox Catalysis in Water". . . Retrieved 2021/10/21.
• 2、 -. "OPTIONALLY NITROGENATED ISOQUINOLIN-1(2H)-ONES AND 1H-ISOCHROMEN- 1-ONES FOR TREATING PAIN AND PAIN RELATED CONDITIONS". Page/Page column 62. . Retrieved 2020/05/29.