54454-10-3

Basic information

• Product Name: 5-CHLORO-1,3-DIMETHYLPYRAZOLE
• Synonyms: 1H-Pyrazole, 5-chloro-1,3-dimethyl-;5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE;5-CHLORO-1,3-DIMETHYLPYRAZOLE;BUTTPARK 82\11-55;5-Chloro-1,3-dimethylpyrazole,98%
• CAS NO: 54454-10-3
• Molecular Formula: C₅H₇ClN₂
• Molecular Weight: 130.58
• Product Categories: Halides;Pyrazoles & Triazoles;Pyrazoles & Triazoles;Heterocycles;Intermediates
• Mol File: 54454-10-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 60-62 °C (15 mmHg)
• Flash Point: 153-155°C
• Appearance: Clear light yellow/Liquid
• Density: 1,137 g/cm3
• Vapor Pressure: 3.55mmHg at 25°C
• Refractive Index: 1.485-1.487
• Solubility: Chlorform
• PKA: 1.48±0.10(Predicted)
• BRN: 113451
• CAS DataBase Reference: 5-CHLORO-1,3-DIMETHYLPYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-CHLORO-1,3-DIMETHYLPYRAZOLE(54454-10-3)
• EPA Substance Registry System: 5-CHLORO-1,3-DIMETHYLPYRAZOLE(54454-10-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26
• Hazardous Substances Data: 54454-10-3(Hazardous Substances Data)

Usage

Description

5-Chloro-1,3-dimethylpyrazole is an organic compound with the molecular formula C5H7ClN2. It is a colorless to light yellow liquid and is commonly utilized as an intermediate in the synthesis of various pharmaceutical compounds.

Uses

Used in Pharmaceutical Synthesis:
5-Chloro-1,3-dimethylpyrazole is used as a synthetic intermediate for the production of Zolazepam (Z613500) metabolite, a compound with potential applications in the pharmaceutical industry. Its role in the synthesis process is crucial for creating the desired end product, which may have therapeutic benefits.
Used in Chemical Research:
In addition to its pharmaceutical applications, 5-Chloro-1,3-dimethylpyrazole may also be used in chemical research and development. Its unique chemical properties make it a valuable compound for studying various reactions and exploring new synthetic pathways.
Used in the Synthesis of Other Compounds:
Due to its versatile chemical structure, 5-Chloro-1,3-dimethylpyrazole can be employed in the synthesis of other related compounds with potential applications in various industries, such as agrochemicals, materials science, and more. Its use in these industries can lead to the development of new products and technologies.

InChI:InChI=1/C5H7ClN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3

Upstream product

• 186581-53-3 diazomethane 
• 15953-45-4 5-chloro-3-methyl-1H-pyrazole 
• 5780-61-0 4,4-dichlorobut-3-en-2-one 
• 57-14-7 N,N-Dimethylhydrazine 
• 74-88-4 methyl iodide 
• 77-78-1 dimethyl sulfate 
• 80-48-8 methyl p-toluene sulfonate 
• 15953-45-4 3-chloro-5-methyl-1H-pyrazole 

Downstream Products

• 35264-10-9 1-phenyl-2-(5-chloro-3-methyl-1-pyrazolyl)ethanol 
• 162286-46-6 1-(2,4-dimethoxyphenyl)-2-(5-chloro-3-methyl-1-pyrazolyl)ethanol 
• 27006-76-4 5-chloro-4-formyl-1,3-dimethylpyrazole 
• 66971-55-9 5-hydrazino-1,3-dimethyl-4-nitro-1H-pyrazole 
• 1394330-50-7 5-chloro-1,3-dimethyl-4-(4-nitrophenyl)-pyrazole 
• 1394330-49-4 ethyl 4-(5-chloro-1,3-dimethylpyrazol-4-yl)-benzoate 
• 1394330-69-8 [4-(1,3-dimethyl-1H-pyrazol-4-yl)phenyl]methanol 
• 1394330-48-3 4-(5-chloro-1,3-dimethylpyrazol-4-yl)-benzaldehyde 
• 1394330-45-0 4-(5-chloro-1,3-dimethylpyrazol-4-yl)-benzonitrile 
• 1394330-40-5 1-[4-(5-chloro-1,3-dimethylpyrazol-4-yl)-phenyl]-ethanone 
• 1394330-57-4 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-benzonitrile 
• 1394330-56-3 5-chloro-1,3-dimethyl-4-(3-nitrophenyl)-pyrazole 
• 1394330-55-2 1-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)-phenyl]-ethanone 
• 1394330-54-1 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-benzaldehyde 

Relevant articles and documents

New synthesis and properties of 3-alkyl-, 3-chloroalkyl-, 3-perfluoroalkyl-, and 3-aryl-1-methyl-(5-halo)pyrazoles from chloro(bromo) vinyl ketones and N,N-dimethylhydrazine

A new regioselective heterocyclization was revealed in the reaction of 2-chloro- and 2,2-dichloro-(bromo)vinyl ketones with N,N-dimethylhydrazine to afford 3-substituted 1-methyl(5-halo)pyrazoles. The reaction is accompanied by elimination of methyl halide and formation of up to 90% of N,N,N-trimethylhydrazinium halide as the second product.