2-chloro-N-(2,2,2-trifluoroethyl)acetamide

Base Information

• Chemical Name: 2-chloro-N-(2,2,2-trifluoroethyl)acetamide
• CAS No.: 170655-44-4
• Molecular Formula: C4H5 Cl F3 N O
• Molecular Weight: 175.538
• Hs Code.: 2924297099
• European Community (EC) Number: 860-867-3
• DSSTox Substance ID: DTXSID60368294
• Nikkaji Number: J2.782.059J
• Wikidata: Q72460058
• Mol file: 170655-44-4.mol

Synonyms:2-chloro-N-(2,2,2-trifluoroethyl)acetamide;170655-44-4;MFCD03984449;C4H5ClF3NO;F2158-1342;SCHEMBL1290037;AMY6772;DTXSID60368294;BCP28737;AKOS000202065;CS-W021673;DS-4266;SY108111;UPCMLD0ENAT0516-8811:001;FT-0699609;EN300-05199;Z56914786

Chemical Property of 2-chloro-N-(2,2,2-trifluoroethyl)acetamide

Chemical Property:

• Vapor Pressure: 0.129mmHg at 25°C
• Boiling Point: 218oC
• PKA: 11.89±0.46(Predicted)
• Flash Point: 86 ºC
• PSA: 29.10000
• Density: 1.368
• LogP: 1.29460
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 175.0011760
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloro-N-(2,2,2-trifluoroethyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)NCC(F)(F)F)Cl

Technology Process of 2-chloro-N-(2,2,2-trifluoroethyl)acetamide

There total 2 articles about 2-chloro-N-(2,2,2-trifluoroethyl)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: 100.0%

2,2,2-trifluroethylamine hydrochloride (373-88-6) + chloroacetyl chloride (79-04-9) → 2-chloro-N-(2,2,2-trifluoroethyl)acetamide (170655-44-4)

Guidance literature:

2,2,2-trifluroethylamine hydrochloride; With tert-butyl methyl ether; sodium hydroxide; In water; at 20 ℃; for 0.5h;

chloroacetyl chloride; at 5 - 10 ℃; for 1h;

Reference yield: 98.9%

trifluoroethylamine (753-90-2) + chloroacetyl chloride (79-04-9) → 2-chloro-N-(2,2,2-trifluoroethyl)acetamide (170655-44-4)

Guidance literature:

In tert-butyl methyl ether; at 10 ℃; for 0.5h; Time; Inert atmosphere;

Reference yield: 91.0%

2-chloro-N-(2,2,2-trifluoroethyl)acetamide (170655-44-4) → 2-ammonia-N-(2,2,2-trifluoroethyl)acetamide (359821-38-8)

Guidance literature:

2-chloro-N-(2,2,2-trifluoroethyl)acetamide; With ammonium hydroxide; In water; at 60 ℃; for 1h; under 3000.3 - 3750.38 Torr; Autoclave;

In water;

upstream raw materials:

trifluoroethylamine

chloroacetyl chloride

2,2,2-trifluroethylamine hydrochloride

Downstream raw materials:

2-[bis(phenylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-ammonia-N-(2,2,2-trifluoroethyl)acetamide

Refernces

• 1、 Liu, Kevin G.,Kim, Ji-In,Olszewski, Kellen,Barsotti, Anthony M.,Morris, Koi,Lamarque, Christophe,Yu, Xuemei,Gaffney, Jack,Feng, Xiao-Jiang,Patel, Jeegar P.,Poyurovsky, Masha V.. "Discovery and Optimization of Glucose Uptake Inhibitors". supporting information. p. 5201 - 5211. Retrieved 2020/07/10.
• 2、 -. "PROCESS FOR THE PREPARATION OF 2-AMINO-N-(2,2,2-TRIFLUOROETHYL)-ACETAMIDE AND SALTS THEREOF". Page/Page column 13. . Retrieved 2020/11/12.