331991-64-1

Basic information

• Product Name: 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-1-phenyl-1-butanone
• Synonyms: 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-1-phenyl-1-butanone
• CAS NO: 331991-64-1
• Molecular Formula: C₁₅H₁₆N₂O₂
• Molecular Weight: 256.29974
• Mol File: 331991-64-1.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-1-phenyl-1-butanone(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-1-phenyl-1-butanone(331991-64-1)
• EPA Substance Registry System: 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-1-phenyl-1-butanone(331991-64-1)

Safety Data

• Hazardous Substances Data: 331991-64-1(Hazardous Substances Data)

Upstream product

• 67-51-6 3,5-dimethyl-1H-pyrazole 
• 53917-82-1 β-benzoylpropionyl chloride 
• 123-54-6 acetylacetone 
• 6270-17-3 ethyl 3-benzoylpropanoate 
• 2051-95-8 succinylbenzene 

Downstream Products

• 6270-17-3 ethyl 3-benzoylpropanoate 
• 1955-39-1 5-phenyl-3H-furan-2-one 

Relevant articles and documents

Synthesis of new pyrazoles, oxadiazoles, triazoles, pyrrolotriazines, and pyrrolotriazepines as potential cytotoxic agents

4-Oxo-4-phenylbutanehydrazide (1) reacted with many active methylene reagents such as acetylacetone, diethylmalonate, ethylacetoacetate, ethylcyanoacetate, benzoyl-acetonitrile, and malononitrile under neat conditions to afford the corresponding pyrazoles (2–7), also, treatment of butanehydrazide (1) with electrophilic reagents as triethylorthoformate, dimethylformamide-dimethylacetal, acetic anhydride, and carbon disulfide to give 1,3,4-oxadiazoles (8,10,11) and N′-acetyl-butanehydrazide (9). Reacted of butanehydrazide (1) with potassium thiocyanate gave 1,2,4-triazoles (12). Similarly, treatment of (1) with chloroacetamide gave 1,2,4-triazinones (13). The pyrrolotriazinones (14) was obtained by cyclization of (13). Also, butanehydrazide (1) was utilized as a starting material for the synthesized of new Schiff bases as N′-(4-sub-benzylidene)-phenylbutane-hydrazide (15a-c), which are used as an initiative to prepare new compounds such as 1,2,4-triazepinones (16a-c), pyrrolotriazepinones (17a-c), 1,2,4-triazines (18a-c), and pyrrolotriazines (19a-c) by reacted of (15a-c) with each chloroacetamide or formamide. The chemical structure of the newly prepared compounds was determined through the spectrum data, including IR, NMR, and MS. The prepared compounds were tested for their in vitro antitumor activities. The compounds 17a-c, 16a-c, and 19a-c displayed activity against several types of cancer cell lines.

Preparation of β-substituted γ-keto esters by the grignard reaction on N-acylpyrazoles

Various γ-keto esters were prepared by either the alcoholysis of N-(4-oxoalkanoyl)pyrazoles or the Grignard replacement of pyrazole moiety of 4-(N-pyrazolyl)-4-oxoalkanoic esters. By using 3-phenyl-ι-menthopyrazole as a chiral auxiliary, β-substituted γ-keto esters were enantioselectively obtained.