124187-81-1

Basic information

• Product Name: 1-acetyl-2-phenyl-1,2,6,7-tetrahydrothiopyrano[3,2-c]pyrazol-3(5H)-one 4-oxide
• Synonyms: Thiopyrano(3,2-c)pyrazol-3(2H)-one, 1,5,6,7-tetrahydro-1-(methylcarbonyl)-2-phenyl-, 4-oxide; Thiopyrano[3,2-c]pyrazol-3(2H)-one, 1,5,6,7-tetrahydro-1- (methylcarbonyl)-2-phenyl-, 4-oxide; Thiopyrano[3,2-c]pyrazol-3(2H)-one, 1,5,6,7-tetrahydro-1-(methylcarbonyl)-2-phenyl-, 4-oxide
• CAS NO: 124187-81-1
• Molecular Formula: C₁₄H₁₄N₂O₃S
• Molecular Weight: 290.3376
• Mol File: 124187-81-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 504.7°C at 760 mmHg
• Flash Point: 259°C
• Density: 1.49g/cm³
• Vapor Pressure: 2.59E-10mmHg at 25°C
• Refractive Index: 1.711
• CAS DataBase Reference: 1-acetyl-2-phenyl-1,2,6,7-tetrahydrothiopyrano[3,2-c]pyrazol-3(5H)-one 4-oxide(CAS DataBase Reference)
• NIST Chemistry Reference: 1-acetyl-2-phenyl-1,2,6,7-tetrahydrothiopyrano[3,2-c]pyrazol-3(5H)-one 4-oxide(124187-81-1)
• EPA Substance Registry System: 1-acetyl-2-phenyl-1,2,6,7-tetrahydrothiopyrano[3,2-c]pyrazol-3(5H)-one 4-oxide(124187-81-1)

Safety Data

• Hazardous Substances Data: 124187-81-1(Hazardous Substances Data)

Usage

Chemical structure

A complex and unique structure containing an acetyl group, a phenyl group, a tetrahydrothiopyrano ring, and a pyrazol-3(5H)-one 4-oxide moiety.

Molecular weight

Approximately 285.36 g/mol (calculated from the molecular formula)

Functional groups

Acetyl (-COCH3), phenyl (C6H5), tetrahydrothiopyrano ring, and pyrazol-3(5H)-one 4-oxide.

Potential pharmacological activities

The compound may have potential pharmacological activities, making it a starting point for drug discovery.

Applications

Specific applications would depend on further studies and research into its biological activity and synthesis.

Synthesis

The synthesis of this compound would involve the formation of the tetrahydrothiopyrano ring, attachment of the phenyl group, and the introduction of the acetyl and pyrazol-3(5H)-one 4-oxide moieties.

Stability

The stability of the compound would depend on factors such as temperature, pH, and the presence of other reactive species.

Solubility

The solubility of the compound in various solvents would need to be determined through experimental studies.

Reactivity

The reactivity of the compound with other chemical species would depend on the specific functional groups present and the reaction conditions.

Biological activity

Further research is required to determine the compound's biological activity, including its potential as a therapeutic agent or its interactions with biological targets.

Toxicity

The toxicity of the compound would need to be assessed through in vitro and in vivo studies to determine its safety for potential pharmaceutical applications.

Metabolism

The compound's metabolism in biological systems would need to be studied to understand its fate and potential side effects.

Drug-drug interactions

Potential drug-drug interactions would need to be investigated to ensure the compound's safety and efficacy in combination with other medications.

Intellectual property

The patent status and intellectual property rights of the compound would need to be considered for commercial development and use.

Upstream product

• 108-24-7 acetic anhydride 
• 124187-83-3 2-phenyl-2,5,6,7-tetrahydrothiopyrano<3,2-c>pyrazol-3(1H)-one 4-oxide 
• 124187-70-8 5,6-dihydro-2-ethoxycarbonyl-2H-thiopyran-3(4H)-one 3-phenylhydrazone 
• 124187-75-3 2-phenyl-2,5,6,7-tetrahydrothiopyrano<3,2-c>pyrazol-3(1H)-one 
• 59-88-1 phenylhydrazine hydrochloride 
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Relevant articles and documents

Synthesis of Tetrahydrothiopyranopyrazole Derivatives from 3-Thianones

The synthesis of bicyclic pyrazoles and pyrazolones in which the fused ring contains a sulfur atom in different oxidation states is reported.