2-(TRIFLUOROACETYL)CYCLOHEXANONE

Base Information

• Chemical Name: 2-(TRIFLUOROACETYL)CYCLOHEXANONE
• CAS No.: 387-89-3
• Molecular Formula: C8H9 F3 O2
• Molecular Weight: 194.153
• Hs Code.: 2914790090
• Mol file: 387-89-3.mol

Synonyms:Cyclohexanone,2-(trifluoroacetyl)- (8CI,9CI); 2-(Trifluoroacetyl)cyclohexanone;2-Trifluoroacetyl-1-cyclohexanone; NSC 42753

Chemical Property of 2-(TRIFLUOROACETYL)CYCLOHEXANONE

Chemical Property:

• Vapor Pressure: 0.12mmHg at 25°C
• Boiling Point: 219.3°Cat760mmHg
• PKA: 7.80±0.20(Predicted)
• Flash Point: 72.9°C
• PSA: 34.14000
• Density: 1.289g/cm³
• LogP: 1.87710
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

2-(2,2,2-Trifluoroacetyl)cyclohexanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-(2,2,2-Trifluoroacetyl)cyclohexanone is a useful reactant for the synthesis of fluorinated 1-?desazapurines.

Technology Process of 2-(TRIFLUOROACETYL)CYCLOHEXANONE

There total 5 articles about 2-(TRIFLUOROACETYL)CYCLOHEXANONE 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: 97.0%

ethyl trifluoroacetate, (383-63-1) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2-(2,2,2-trifluoroacetyl)cyclohexanone (387-89-3)

Guidance literature:

ethyl trifluoroacetate,; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 0.166667h; Inert atmosphere; Schlenk technique;

cyclohexanone; In tetrahydrofuran; at 0 ℃; for 2h; Inert atmosphere; Schlenk technique; Reflux;

With hydrogenchloride; In tetrahydrofuran; water; at 0 ℃; for 0.25h; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.tet.2014.05.017

Reference yield: 80.0%

sodium 2-(trifluoroacetyl)cyclohexanonate → 2-(2,2,2-trifluoroacetyl)cyclohexanone (387-89-3)

Guidance literature:

Acidic conditions;

DOI:10.1515/znb-2009-0510

Reference yield: 65.55%

→ 2-(2,2,2-trifluoroacetyl)cyclohexanone (387-89-3)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 0.5h; Cooling with ice;

In tetrahydrofuran; at 20 ℃; for 12h; Cooling with ice;

upstream raw materials:

ethyl trifluoroacetate,

cyclohexanone

3,3-difluoro-5,6,7,8-tetrahydro-4-(trifluoromethyl)benzo[d]-1,3,2-dioxaborine

4-methoxy-benzaldehyde

Downstream raw materials:

(3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)phenylketone

4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

9-trifluoromethyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

2-methyl-3-(4-chlorophenyl)-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

Refernces

• 1、 Zuo, Wei-Qiong,Wang, Ning-Yu,Zhu, Yong-Xia,Liu, Li,Xiao, Kun-Jie,Zhang, Li-Dan,Gao, Chao,Liu, Zhi-Hao,You, Xin-Yu,Shi, Yao-Jie,Peng, Cui-Ting,Ran, Kai,Tang, Hong,Yu, Luo-Ting. "A new series of HCV inhibitors based on a 2-(thieno[2,3B]pyridin-2-yl)-1,3,4-oxadiazole scaffold". . p. 40277 - 40286. Retrieved 2016/05/24.
• 2、 La Rosa, Salvatore,Benicchi, Tiziana,Bettinetti, Laura,Ceccarelli, Ilaria,Diodato, Enrica,Federico, Cesare,Fiengo, Pasquale,Franceschini, Davide,Gokce, Ozgun,Heitz, Freddy,Lazzeroni, Giulia,Luthi-Carter, Ruth,Magnoni, Letizia,Miragliotta, Vincenzo,Scali, Carla,Valacchi, Michela. "Fused 3-hydroxy-3-trifluoromethylpyrazoles inhibit mutant huntingtin toxicity". supporting information. p. 979 - 984. Retrieved 2013/10/22.