31272-05-6

Basic information

• Product Name: 2,4-Dihydro-5-isopropyl-2-methyl-3H-pyrazol-3-one
• Synonyms: 1-Methyl-3-isopropyl-2-pyrazolin-5-one;2,4-Dihydro-5-isopropyl-2-methyl-3H-pyrazol-3-one;1-methyl-3-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one
• CAS NO: 31272-05-6
• Molecular Formula: C₇H₁₂N₂O
• Molecular Weight: 140.18
• Mol File: 31272-05-6.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2,4-Dihydro-5-isopropyl-2-methyl-3H-pyrazol-3-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-Dihydro-5-isopropyl-2-methyl-3H-pyrazol-3-one(31272-05-6)
• EPA Substance Registry System: 2,4-Dihydro-5-isopropyl-2-methyl-3H-pyrazol-3-one(31272-05-6)

Safety Data

• Hazardous Substances Data: 31272-05-6(Hazardous Substances Data)

Usage

Description

2,4-Dihydro-5-isopropyl-2-methyl-3H-pyrazol-3-one is a chemical compound with the molecular formula C8H14N2O. It is a derivative of pyrazolone, characterized by its unique structure and reactivity. 2,4-Dihydro-5-isopropyl-2-methyl-3H-pyrazol-3-one is recognized for its potential anti-inflammatory and analgesic properties, making it a promising candidate in pharmaceutical research and development.

Uses

Used in Pharmaceutical Industry:
2,4-Dihydro-5-isopropyl-2-methyl-3H-pyrazol-3-one is used as an intermediate in the synthesis of pharmaceuticals for its potential anti-inflammatory and analgesic properties. Its unique structure allows it to be a valuable building block in the development of new drugs targeting various health conditions.
Used in Agricultural Chemicals:
In the agricultural sector, 2,4-Dihydro-5-isopropyl-2-methyl-3H-pyrazol-3-one serves as an intermediate in the synthesis of agricultural chemicals. Its chemical properties make it suitable for creating compounds that can be used in pest control and crop protection, contributing to enhanced agricultural productivity.
Used in Organic Synthesis:
2,4-Dihydro-5-isopropyl-2-methyl-3H-pyrazol-3-one is utilized as a building block in organic synthesis. Its reactivity enables it to undergo various chemical reactions, leading to the formation of different compounds with a wide range of applications across various industries, including the development of new materials and chemical products.

Upstream product

• 598-23-2 3-methyl-but-1-yne 
• 60-34-4 methylhydrazine 
• 7152-15-0 ethyl 4-methyl-3-oxo-pentanoate 
• 34036-16-3 5-methyl-3-oxo-hexanoic acid ethyl ester 
• 80866-47-3 methyl 4-methylpent-2-ynoate 

Downstream Products

• 139157-51-0 4-benzoyl-5-chloro-3-isopropylpyrazole 
• 139157-54-3 4-benzoyl-5-chloro-3-isopropyl-1-methylpyrazole 
• 139157-52-1 1-benzyl-4-benzoyl-5-chloro-3-isopropylpyrazole 
• 139157-53-2 2-benzyl-4-benzoyl-5-chloro-3-isopropylpyrazole 
• 1025970-12-0 (E)-3-(3-Isopropyl-1-methyl-5-methylamino-1H-pyrazol-4-ylamino)-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-acrylic acid ethyl ester 
• 139176-84-4 4-benzoyl-3-isopropyl-1-methyl-5-pyrazolone 

Relevant articles and documents

Synthesis of 5-isopropyl- and 5-tert. butyl-2H-pyrazole-3-ones

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Novel Antagonists of Platelet-Activating Factor. 2. Synthesis and Structure-Activity Relationships of Potent and Long-Acting Heterofused Benzodiazepine and Diazepine Derivatives of 2-Methyl-1-phenylimidazopyridine

The optimization of in vitro activty and oral potency and duration of action in vivo is described for three novel structural types of platelet-activating factor (PAF) antagonist: benzodiazepines 5-12 onto which a variety of other heterocyclic rings were fused, pyridodiazepinones 13-26, and pyrazolodiazepinones 27-46.Compounds 5-12 were prepared by elaboration of the benzodiazepine-2-thiones 47 and 48, and 13-46 were prepared by cyclocondensation reactions of a variety of 2,3-diaminopyridine and 4,5-diaminopyrazole derivatives with ethyl 4'-(2-methylimidazopyrid-1-yl)benzoylacetate (53).The presence of imine-enamine tautomerism was observed in certain diazepine derivatives and is discussed.Structure-activity relationships were evaluated where PAF antagonist activity was measured in vitro by determining the concentration of compound (IC50) required to inhibit PAF-induced aggregation of rabbit washed platelets and in vivo by determining the oral dose (ED50) which protected mice from a lethal injection of PAF.In addition, the duration of action in conscious dogs was measured by determining the oral dose of selected compounds required to inhibit completely PAF-induced whole blood aggregation ex vivo.The most potent compound was 1,6,7,8-tetrahydro-1,8-dimethyl-5-pyrid-1-yl)phenyl>-7-oxo-3-(3-pyridyl)pyrazolodiazepine (43, UK-91,473) (IC50=2.4 nM, ED50=0.01 mg/kg po), which was found to be significantly more potent in vivo (murine lethality) than the dihydropyridine PAF antagonist 4-(2-chlorophenyl)-1,4-dihydro-3-(ethoxycarbonyl)-6-methyl-4-pyrid-1-yl)phenyl>-5-pyridine (4, UK-74,505) (ED50=0.26 mg/kg po).Compound 43 also possessed a longer duration of action than compound 4 in the conscious dog at one-fourth of the dose.The crystal structure of compound 43, established by X-ray diffraction, is reported.