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

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

Uses

Used in Pharmaceutical Industry:
METHYL 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATE is used as a building block for the preparation of various pharmaceutical compounds. Its unique structure and properties make it a valuable component in the development of new drugs.
Used in Organic Synthesis:
METHYL 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATE is used as a reagent in the synthesis of heterocyclic compounds. Its versatility allows it to be incorporated into a wide range of organic molecules, contributing to the development of new chemical entities.
Used in Agrochemical Compounds:
METHYL 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATE is also used in the preparation of agrochemical compounds, where it serves as a building block for the development of new pesticides and other agricultural chemicals.
Used as a Precursor in Chemical Production:
METHYL 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATE can serve as a precursor in the production of chemicals with biological activity. Its role in the synthesis of bioactive compounds makes it an important intermediate in the chemical industry.

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

Upstream product

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

Downstream Products

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

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.

Method for preparing 1-alkyl-3-alkylpyrazole-5-carboxylate

The invention discloses a preparation method of a compound shown in a formula (I). The compound is prepared through three-step reactions comprising condensation, condensation cyclization and alkylation, The preparation method provided by the invention can realize one-pot operation, a reactor is not required to be replaced, the yield of the prepared product is high, and the method is suitable for industrial production.

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.