893842-26-7

Basic information

• Product Name: 5,5-diMethyl-2-(2,2,2-trifluoroacetyl)cyclohexane-1,3-dione
• Synonyms: 5,5-diMethyl-2-(2,2,2-trifluoroacetyl)cyclohexane-1,3-dione
• CAS NO: 893842-26-7
• Molecular Formula: C₁₀H₁₁F₃O₃
• Molecular Weight: 236.1877496
• Mol File: 893842-26-7.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 5,5-diMethyl-2-(2,2,2-trifluoroacetyl)cyclohexane-1,3-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 5,5-diMethyl-2-(2,2,2-trifluoroacetyl)cyclohexane-1,3-dione(893842-26-7)
• EPA Substance Registry System: 5,5-diMethyl-2-(2,2,2-trifluoroacetyl)cyclohexane-1,3-dione(893842-26-7)

Safety Data

• Hazardous Substances Data: 893842-26-7(Hazardous Substances Data)

Usage

General Description

5,5-diMethyl-2-(2,2,2-trifluoroacetyl)cyclohexane-1,3-dione is a chemical compound with the molecular formula C11H13F3O3. It is a derivative of cyclohexanedione, with two methyl groups and a trifluoroacetyl group attached to the cyclohexane ring. 5,5-diMethyl-2-(2,2,2-trifluoroacetyl)cyclohexane-1,3-dione is commonly used in organic synthesis and chemical research due to its unique chemical properties. It is known for its role as a precursor in the preparation of various other organic compounds and can also be used as a reagent in chemical reactions. Additionally, it has been studied for its potential biological activities and pharmaceutical applications, making it a versatile and valuable chemical in the scientific community.

Upstream product

• 126-81-8 dimedone 
• 1546-79-8 N-trifluoroacetylimidazole 
• 76-05-1 trifluoroacetic acid 

Downstream Products

• 1129225-62-2 2-(1-hydroxy-2,2,2-trifluoroethyl)-5,5-dimethylcyclohexane-1,3-dione 
• 1161925-08-1 C₁₆H₁₄F₄N₂O 
• 1161924-84-0 6,6-dimethyl-3-trifluoromethyl-1-(4-fluorophenyl)-6,7-dihydro-1H-indazol-4(5H)-one 
• 1161924-96-4 C₁₆H₁₀F₈N₂O 
• 1161925-14-9 C₁₆H₁₀F₈N₂O 
• 29940-49-6 8,8-dimethyl-8,9-dihydro[1,2,4]triazolo[1,5-a]-quinazolin-6(7H)-one 
• 696657-58-6 5,5-dimethyl-3-(1H-1,2,4-triazol-3-ylamino)-cyclohex-2-en-1-one 
• 1313409-56-1 3-(4-fluorobenzylamino)-5,5-dimethyl-2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohex-2-en-1-one 
• 1313409-48-1 3-benzylamino-5,5-dimethyl-2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohex-2-en-1-one 
• 1313409-41-4 3-(4-fluorophenylamino)-5,5-dimethyl-2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohex-2-en-1-one 
• 1313409-35-6 5,5-dimethyl-3-phenylamino-2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohex-2-en-1-one 
• 1202752-77-9 3-(4-fluorobenzylamino)-5,5-dimethyl-2-trifluoroacetylcyclohex-2-en-1-one 
• 1202752-74-6 3-benzylamino-5,5-dimethyl-2-trifluoroacetylcyclohex-2-en-1-one 
• 1202752-71-3 3-(4-fluorophenylamino)-5,5-dimethyl-2-trifluoroacetylcyclohex-2-en-1-one 

Relevant articles and documents

Discovery, structure-activity relationship studies, and anti-nociceptive effects of 1-phenyl-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one as novel opioid receptor agonists

The μ-opioid receptor (MOR) is the major opioid receptor targeted by most analgesics in clinical use. However, the use of all known MOR agonists is associated with severe adverse effects. We reported that the 1-phenyl-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-ones are novel opioid receptor agonists. Subsequent structural modification resulted in the potent MOR/KOR (κ-opioid receptor) agonists 19, 20, and 21. Testing the analgesic effect of these in WT B6 mice (tail-flick test) gave ED50 values of 8.4, 10.9, and 26.6 mg/kg, respectively. The 1-phenyl-3,6,6-trimethyl-1,5,6,7- tetrahydro-4H-indazol-4-one core could be addressed in 1 or 2 synthetic steps with moderate to high percent of yield. In the adenylyl cyclase assay, compound 19 displayed a MOR/KOR agonist profile, with IC50 values of 0.73 and 0.41 μM, respectively. Current results suggest that compound 19 is a promising lead to go further development and in vitro/in vivo adverse effects studies.