N-[4-chloro-2-nitro-6-(trifluoromethyl)phenyl]acetamide

Base Information

• Chemical Name: N-[4-chloro-2-nitro-6-(trifluoromethyl)phenyl]acetamide
• CAS No.: 172215-95-1
• Molecular Formula: C9H6 Cl F3 N2 O3
• Molecular Weight: 282.6
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID40441857
• Wikidata: Q82258837
• Mol file: 172215-95-1.mol

Synonyms:172215-95-1;N-[4-chloro-2-nitro-6-(trifluoromethyl)phenyl]acetamide;2-Acetamido-5-chloro-3-nitrobenzotrifluoride;2-Acetamino-5-chloro-3-nitro benzotrifluoride;SCHEMBL8904042;DTXSID40441857;MFCD08062505

Chemical Property of N-[4-chloro-2-nitro-6-(trifluoromethyl)phenyl]acetamide

Chemical Property:

• PSA: 74.92000
• LogP: 3.82160
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 282.0019042
• Heavy Atom Count: 18
• Complexity: 345

Purity/Quality:

95% ^*data from raw suppliers

2-ACETAMINO-5-CHLORO-3-NITRO BENZOTRIFLUORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])Cl)C(F)(F)F

Technology Process of N-[4-chloro-2-nitro-6-(trifluoromethyl)phenyl]acetamide

There total 2 articles about N-[4-chloro-2-nitro-6-(trifluoromethyl)phenyl]acetamide 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: 53.0%

N-<4-chloro-2-(trifluoromethyl)phenyl>acetamide (344-53-6) → 4-chloro-6-(trifluoromethyl)-2-nitroacetanilide (172215-95-1)

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 20 ℃;

DOI:10.1021/jm00022a003

Reference yield:

4-chloro-2-(trifluoromethyl)aniline (445-03-4) → 4-chloro-6-(trifluoromethyl)-2-nitroacetanilide (172215-95-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / 12 h / 25 °C

2: 53 percent / concd. H₂SO₄, concd. HNO₃ / 0 - 20 °C

With sulfuric acid; nitric acid;

DOI:10.1021/jm00022a003

Reference yield:

4-chloro-6-(trifluoromethyl)-2-nitroacetanilide (172215-95-1) → 4-chloro-6-(trifluoromethyl)-2-nitroaniline (62924-50-9)

Guidance literature:

With hydrogenchloride; Yield given; Heating;

DOI:10.1021/jm00022a003

upstream raw materials:

N-<4-chloro-2-(trifluoromethyl)phenyl>acetamide

4-chloro-2-(trifluoromethyl)aniline

Downstream raw materials:

4-chloro-6-(trifluoromethyl)-2-nitroaniline

5-chloro-3-trifluoromethyl-1,2-phenylenediamine

Refernces

• 1、 Keana,Kher,Sui Xiong Cai,Dinsmore,Glenn,Guastella,Huang,Ilyin,Lu,Mouser,Woodward,Weber. "Synthesis and structure-activity relationships of substituted 1,4- dihydroquinoxaline-2,3-diones: Antagonists of N-methyl-D-aspartate (NMDA) receptor glycine sites and non-NMDA glutamate receptors". . p. 4367 - 4379. Retrieved 2007/10/02.