2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

Base Information

• Chemical Name: 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
• CAS No.: 328-26-7
• Molecular Formula: C9H6Cl2F3NO
• Molecular Weight: 272.054
• Hs Code.: 2924299090
• European Community (EC) Number: 870-854-4
• NSC Number: 165639
• DSSTox Substance ID: DTXSID30304407
• Wikidata: Q82050300
• Mol file: 328-26-7.mol

Synonyms:328-26-7;2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide;2-Chloro-N-(2-chloro-5-trifluoromethyl-phenyl)-acetamide;2-Chloro-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide;N-(Chloroacetyl)3-amino-4-chlorobenzotrifluoride;MFCD00077472;NSC165639;SCHEMBL4006377;2-chloro-n-[2-chloro-5-(trifluoromethyl)phenyl]-acetamide;DTXSID30304407;YJUFYUGDUFBEDG-UHFFFAOYSA-N;BBL008642;STK115776;AKOS000266363;NSC-165639;VS-01963;BB 0217377;CS-0072711;FT-0678540;EN300-01495;D94935;Z56832106;2-Chloro-N-(2-chloro-5-trifluoromethylphenyl)acetamide;F0917-7562;n1-[2-chloro-5-(trifluoromethyl)phenyl]-2-chloroacetamide

Chemical Property of 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

Chemical Property:

• Vapor Pressure: 6.59E-05mmHg at 25°C
• Refractive Index: 1.528
• Boiling Point: 344.4 °C at 760 mmHg
• Flash Point: 162.1 °C
• PSA: 29.10000
• Density: 1.516 g/cm³
• LogP: 3.60910
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 270.9778537
• Heavy Atom Count: 16
• Complexity: 260

Purity/Quality:

99%, ^*data from raw suppliers

2-Chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)NC(=O)CCl)Cl

Technology Process of 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

There total 3 articles about 2-chloro-N-[2-chloro-5-(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: 98.0%

Chloroiodomethane (593-71-5) + 2-chloro-5-(trifluoromethyl)phenyl isocyanate (50528-86-4) → 2-chloro-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide (328-26-7)

Guidance literature:

With methyllithium lithium bromide; In diethyl ether; at -78 ℃;

DOI:10.1039/c3cc44255a

Reference yield:

chloroacetyl chloride (79-04-9) + 3-amino-4-chlorobenzotrifluoride (121-50-6) → 2-chloro-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide (328-26-7)

Guidance literature:

With triethylamine; In acetone; at 0 - 20 ℃;

DOI:10.1016/j.ejmech.2010.05.016

Reference yield:

→ 2-chloro-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide (328-26-7)

Guidance literature:

/BRN= 3345904/;

upstream raw materials:

chloroacetyl chloride

3-amino-4-chlorobenzotrifluoride

Chloroiodomethane

2-chloro-5-(trifluoromethyl)phenyl isocyanate

Downstream raw materials:

N-(2-chloro-5-trifluoromethyl-phenyl)-2-[5-(4-methoxy-benzylidene)-2,4-dioxo-imidazolidin-3-yl]-acetamide

N-(2-chloro-5-(trifluoromethyl)phenyl)-2-(4-(4-(pyridin-4-ylmethyl)phthalazin-1-yl)piperazin-1-yl)acetamide

N-(2-chloro-5-(trifluoromethyl)phenyl)-2-(4-(4-benzylphthalazin-1-yl)piperazin-1-yl)acetamide

N-(2-chloro-5-(trifluoromethyl)phenyl)-2-(4-(furan-2-carbonyl)piperazin-1-yl)acetamide

Refernces

• 1、 Aguilera, Renato J.,Choe, Jun-yong,Henze Macias, Luca,Hess, Jessica D.,Meyer-Almes, Franz-Josef,Mrowka, Piotr,Ramaa, C. S.,Schweipert, Markus,Tilekar, Kalpana,Upadhyay, Neha,J?nsch, Niklas. "Discovery of novel N-substituted thiazolidinediones (TZDs) as HDAC8 inhibitors: in-silico studies, synthesis, and biological evaluation". . . Retrieved 2020/05/22.
• 2、 Pace, Vittorio,Castoldi, Laura,Holzer, Wolfgang. "Addition of lithium carbenoids to isocyanates: A direct access to synthetically useful N-substituted 2-haloacetamides". supporting information. p. 8383 - 8385. Retrieved 2013/09/23.