387-89-3

Basic information

• Product Name: 2-(TRIFLUOROACETYL)CYCLOHEXANONE
• Synonyms: 2-(TRIFLUOROACETYL)CYCLOHEXANONE;AKOS B029513;2-(2,2,2-trifluoroacetyl)cyclohexanone;2-(2,2,2-trifluoroethanoyl)cyclohexan-1-one;2-(trifluoroacetyl)cyclohexan-1-one
• CAS NO: 387-89-3
• Molecular Formula: C₈H₉F₃O₂
• Molecular Weight: 194.15
• Mol File: 387-89-3.mol

Chemical Properties

• Boiling Point: 219.3°Cat760mmHg
• Flash Point: 72.9°C
• Appearance: /
• Density: 1.289g/cm³
• Vapor Pressure: 0.12mmHg at 25°C
• Refractive Index: 1.411
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 7.80±0.20(Predicted)
• CAS DataBase Reference: 2-(TRIFLUOROACETYL)CYCLOHEXANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(TRIFLUOROACETYL)CYCLOHEXANONE(387-89-3)
• EPA Substance Registry System: 2-(TRIFLUOROACETYL)CYCLOHEXANONE(387-89-3)

Safety Data

• Hazardous Substances Data: 387-89-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2-(TRIFLUOROACETYL)CYCLOHEXANONE is used as a reactant for the synthesis of fluorinated 1-?desazapurines, which are important building blocks in the development of novel pharmaceuticals. These fluorinated compounds exhibit potential biological activities and can be utilized in the creation of new drugs with improved properties, such as enhanced efficacy, selectivity, and reduced side effects.
Used in Chemical Synthesis:
In the field of chemical synthesis, 2-(TRIFLUOROACETYL)CYCLOHEXANONE serves as a versatile intermediate for the production of various fluorinated compounds. Its unique structure allows for further functionalization and modification, making it a valuable starting material for the synthesis of a wide range of chemical products, including agrochemicals, dyes, and specialty chemicals.

InChI:InChI=1/C8H9F3O2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h5H,1-4H2

Upstream product

• 383-63-1 ethyl trifluoroacetate, 
• 108-94-1 cyclohexanone 
• 431-47-0 trifluoroacetic acid-methyl ester 
• 1190405-04-9 3,3-difluoro-5,6,7,8-tetrahydro-4-(trifluoromethyl)benzo[d]-1,3,2-dioxaborine 
• 123-11-5 4-methoxy-benzaldehyde 

Downstream Products

• 256954-38-8 4-trifluoromethyl-5,6,7,8-tetrahydro-quinazolin-2-ylamine 
• 890005-22-8 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole 
• 654635-42-4 9-trifluoromethyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline 
• 240121-55-5 2-(6-oxo-7,7,7-trifluoroheptyl)benzimidazole 
• 237437-50-2 2,6-bis(trifluoroacetyl)cyclohexanone 
• 159152-82-6 3,3a,4,5,6,7-hexahydro-3-(trifluoromethyl)-2,1-benzisoxazol-3-ol 
• 318258-14-9 4-trifluoromethyl-5,6,7,8-tetrahydro-quinazolin-2-ol 
• 443909-95-3 (3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)phenylketone 
• 6076-13-7 4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid 

Relevant articles and documents

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A new series of HCV inhibitors based on a 2-(thieno[2,3-b]pyridin-2-yl)-1,3,4-oxadiazole scaffold was developed. Detailed SAR investigations revealed the HCV inhibitory activity was sensitive to the size of C5, the C6-fused ring, and the size and flexibility of C5′ cycloalkane, which led to the identification of several compounds with potent inhibitory activity against HCV genotype 1b replicon. The most potent compound 10d showed ～100-fold improvement in potency compared with compound 1, with an EC50 of 0.039 μM, but without obvious cytotoxicity in vitro.

Highly selective trifluoroacetic ester/ketone metathesis: An efficient approach to trifluoromethyl ketones and esters

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Fused 3-hydroxy-3-trifluoromethylpyrazoles inhibit mutant huntingtin toxicity

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