88398-73-6

Basic information

• Product Name: METHYL 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATE
• Synonyms: METHYL 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATE;METHYL 1-ETHYL-3-METHYLPYRAZOLE-5-CARBOXYLATE;1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid methyl ester
• CAS NO: 88398-73-6
• Molecular Formula: C₈H₁₂N₂O₂
• Molecular Weight: 168.19
• Product Categories: Building Blocks;C7 to C8;Chemical Synthesis;Heterocyclic Building Blocks;Pyrazoles
• Mol File: 88398-73-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 257.1°C at 760 mmHg
• Flash Point: 87°C
• Appearance: /
• Density: 1.12g/cm³
• Vapor Pressure: 0.0148mmHg at 25°C
• Refractive Index: n20/D 1.485
• PKA: 0.96±0.10(Predicted)
• CAS DataBase Reference: METHYL 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATE(88398-73-6)
• EPA Substance Registry System: METHYL 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATE(88398-73-6)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• WGK Germany: 3
• Hazardous Substances Data: 88398-73-6(Hazardous Substances Data)

Usage

General Description

METHYL 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATE is a chemical compound with the molecular formula C10H14N2O2. It is a pyrazole derivative and belongs to the class of carboxylic acid esters. METHYL 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATE is commonly used in the pharmaceutical industry and in organic synthesis as a building block for the preparation of various pharmaceutical and agrochemical compounds. It is also used as a reagent in the synthesis of heterocyclic compounds and can serve as a precursor in the production of chemicals with biological activity.

InChI:InChI=1/C8H12N2O2/c1-4-10-7(8(11)12-3)5-6(2)9-10/h5H,4H2,1-3H3

Upstream product

• 64-67-5 diethyl sulfate 
• 25016-17-5 3-methyl-1H-pyrazole-5-carboxylic acid methyl ester 
• 20577-61-1 methyl 2,4-dioxopentanoate 
• 553-90-2 Dimethyl oxalate 
• 67-64-1 acetone 
• 67-56-1 methanol 
• 50920-65-5 1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid 

Downstream Products

• 1253428-85-1 3-(1-ethyl-3-methylpyrazol-5-yl)-2-(4-tertbutylphenyl)-3-hydroxy-acrylonitrile 
• 1253429-01-4 Z-2-(4-(tert-butyl)phenyl)-2-cyano-1-(1-ethyl-3-methyl-1H-5-pyrazolyl)vinyl pivalate 
• 1253432-82-4 C₂₄H₃₁N₃O₂ 
• 1253431-13-8 3-(4-cyano-1-ethyl-3-methylpyrazol-5-yl)-2-(4-tertbutylphenyl)-3-hydroxy-acrylonitrile 
• 1253431-17-2 C₂₅H₃₀N₄O₂ 
• 1253433-14-5 C₂₅H₃₀N₄O₂ 
• 1253431-30-9 3-(1-ethyl-4-fluoro-3-methylpyrazol-5-yl)-2-(4-tertbutylphenyl)-3-hydroxy-acrylonitrile 
• 1253431-33-2 C₂₄H₃₀FN₃O₂ 
• 1253433-26-9 C₂₄H₃₀FN₃O₂ 
• 1253433-54-3 C₂₄H₃₀BrN₃O₂ 
• 1253433-41-8 C₂₄H₃₀ClN₃O₂ 
• 1253431-45-6 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-(4-tertbutylphenyl)-3-hydroxy-acrylonitrile 
• 1253432-58-4 C₁₉H₂₂BrN₃O 

Relevant articles and documents

HETEROCYCLIC COMPOUNDS AS STING MODULATORS

Disclosed herein are heterocyclic compounds that may be used as STING modulators, process for synthesis and to uses of such compounds in treatment of various diseases including cancers.

Synthesis, Acaricidal Activity, and Structure-Activity Relationships of Pyrazolyl Acrylonitrile Derivatives

A series of novel pyrazolyl acrylonitrile derivatives was designed, targeting Tetranychus cinnabarinus, and synthesized. Their structures were identified by combination of1H NMR,13C NMR, and MS spectra. The structures of compounds 18 and 19 were further confirmed by X-ray diffraction. Extensive greenhouse bioassays indicated that compound 19 exhibits excellent acaricidal activity against all developmental stages of T. cinnabarinus, which is better than the commercialized compounds cyenopyrafen and spirodiclofen. It was shown that the acute toxicity of compounds 19 to mammals is quite low. The structure-activity relationships are also discussed.