NSC406902

Base Information

• Chemical Name: NSC406902
• CAS No.: 3400-31-5
• Molecular Formula: C8H8ClNO
• Molecular Weight: 169.611
• Hs Code.: 2924299090
• Mol file: 3400-31-5.mol

Synonyms:N-Methyl-2-chlorobenzamide;2-chloro-N-methyl-benzamide;(2-chlorophenyl)-N-methylcarboxamide;1-(N-methylcarbamoyl)-2-chlorobenzene;2-Chlor-benzoesaeure-methylamid;2-chloro-benzoic acid methylamide;

Chemical Property of NSC406902

Chemical Property:

• Vapor Pressure: 0.00136mmHg at 25°C
• Melting Point: 119-121 °C
• Boiling Point: 297.3°Cat760mmHg
• PKA: 14.32±0.46(Predicted)
• Flash Point: 133.6°C
• PSA: 29.10000
• Density: 1.196g/cm³
• LogP: 2.09050

Purity/Quality:

99%min ^*data from raw suppliers

2-Chloro-N-methylbenzamide 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of NSC406902

There total 14 articles about NSC406902 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%

1-(2-chlorophenyl)ethanone oxime (7147-44-6) → 2-chloro-N-methylbenzamide (3400-31-5)

Guidance literature:

With diethyl chlorophosphate; In toluene; for 0.5h; Heating;

DOI:10.1016/j.tetlet.2007.01.120

Reference yield: 85.2%

o-chlorobenzoyl chloride (609-65-4) + methylamine (74-89-5) → 2-chloro-N-methylbenzamide (3400-31-5)

Guidance literature:

In benzene; for 1h;

Reference yield: 76.0%

methylamine (74-89-5) + ortho-chlorobenzoic acid (118-91-2) → 2-chloro-N-methylbenzamide (3400-31-5)

Guidance literature:

With dmap; 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In tetrahydrofuran; DMF (N,N-dimethyl-formamide); at 20 ℃;

upstream raw materials:

o-chlorobenzoyl chloride

methylamine

2-chlorobenzamide

methyl iodide

Downstream raw materials:

2-Chloro-N-methyl-N-trimethylsilanylmethyl-benzamide

N-methylbenzamide

2-methyl-1,2-benzisothiazole-3(2H)-one

trans-[(C₆H₄C(O)NHMe)Ni(II)(trimethylphosphine)2Cl]

Refernces

• 1、 Feng, Xiaoming,Hu, Xinyue,Lin, Lili,Wang, Kaixuan,Xu, Chaoran,Zhou, Yuqiao. "Catalytic asymmetric [3+2] cycloaddition of isomünchnones with methyleneindolinones". supporting information. p. 8917 - 8920. Retrieved 2021/09/10.
• 2、 Gim, Hyo Jin,Jung, Michael E.. "Formation of Aryl [1-Cyano-4-(dialkylamino)butadienyl] Ketones from Pyridines". . p. 2548 - 2552. Retrieved 2019/06/08.