1-(2,5-DICHLORO-PHENYL)-2,2,2-TRIFLUORO-ETHANONE

Base Information

• Chemical Name: 1-(2,5-DICHLORO-PHENYL)-2,2,2-TRIFLUORO-ETHANONE
• CAS No.: 886371-22-8
• Molecular Formula: C8H3Cl2F3O
• Molecular Weight: 243.012
• Mol file: 886371-22-8.mol

Synonyms:1-(2,5-dichloro-phenyl)-2,2,2-trifluoro-ethanone;

Chemical Property of 1-(2,5-DICHLORO-PHENYL)-2,2,2-TRIFLUORO-ETHANONE

Chemical Property:

• Boiling Point: 225.8 °C at 760 mmHg
• Flash Point: 90.4 °C
• PSA: 17.07000
• Density: 1.506 g/cm³
• LogP: 3.73840
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%Min ^*data from raw suppliers

2',5'-Dichloro-2,2,2-trifluoroacetophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-(2,5-DICHLORO-PHENYL)-2,2,2-TRIFLUORO-ETHANONE

There total 2 articles about 1-(2,5-DICHLORO-PHENYL)-2,2,2-TRIFLUORO-ETHANONE 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: 86.0%

para-dichlorobenzene (106-46-7,84348-21-0) + trifluoroacetic acid-methyl ester (431-47-0) → 1-(2,5-dichloro-phenyl)-2,2,2-trifluoroethanone (886371-22-8)

Guidance literature:

para-dichlorobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

trifluoroacetic acid-methyl ester; In tetrahydrofuran; hexane; at 0 ℃; for 2.5h;

Reference yield: 77.3%

para-dichlorobenzene (106-46-7,84348-21-0) + ethyl trifluoroacetate, (383-63-1) → 1-(2,5-dichloro-phenyl)-2,2,2-trifluoroethanone (886371-22-8)

Guidance literature:

para-dichlorobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -75 - -70 ℃; for 1h; Cooling with liquid nitrogen;

ethyl trifluoroacetate,; In tetrahydrofuran; hexane; at -80 - -75 ℃; for 0.5h;

DOI:10.1007/s11172-014-0733-1

Reference yield: 99.0%

Cyclopropylacetylene (6746-94-7) + 1-(2,5-dichloro-phenyl)-2,2,2-trifluoroethanone (886371-22-8) → (S)-2-(2,5-dichlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol (1381993-88-9)

Guidance literature:

With Δ-Ru2; triethylamine; In tetrahydrofuran; at 20 ℃; for 16h; Reagent/catalyst; Solvent; Temperature; enantioselective reaction; Catalytic behavior; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/acs.oprd.7b00376

upstream raw materials:

para-dichlorobenzene

trifluoroacetic acid-methyl ester

ethyl trifluoroacetate,

Downstream raw materials:

(S)-2-(2,5-dichlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol

4-cyclopropyl-2-(2,5-dichlorophenyl)-1,1,1-trifluorobut-3-yn-2-ol

rac-efavirenz

efavirenz

Refernces

• 1、 Pisella, Guillaume,Gagnebin, Alec,Waser, Jér?me. "Three-Component Reaction for the Synthesis of Highly Functionalized Propargyl Ethers". supporting information. p. 10199 - 10204. Retrieved 2020/07/17.
• 2、 -. "PROCESS FOR PREPARING EFAVIRENZ". Page/Page column 34. . Retrieved 2012/06/30.