31618-80-1

Basic information

• Product Name: 3-METHYL-5-(2-THIENYL)-1H-PYRAZOLE
• Synonyms: 3-METHYL-5-(2-THIENYL)-1H-PYRAZOLE;3-Methyl-5-thien-2-yl-1H-pyrazole;5-methyl-3-thiophen-2-yl-1H-pyrazole
• CAS NO: 31618-80-1
• Molecular Formula: C8H8N2S
• Molecular Weight: 164.23
• Mol File: 31618-80-1.mol
• Article Data: 6

Chemical Properties

• Melting Point: 140-141°C
• Boiling Point: 335.3°Cat760mmHg
• Flash Point: 158.7°C
• Appearance: /
• Density: 1.243g/cm³
• Vapor Pressure: 0.000235mmHg at 25°C
• Refractive Index: 1.623
• PKA: 13.84±0.10(Predicted)
• CAS DataBase Reference: 3-METHYL-5-(2-THIENYL)-1H-PYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYL-5-(2-THIENYL)-1H-PYRAZOLE(31618-80-1)
• EPA Substance Registry System: 3-METHYL-5-(2-THIENYL)-1H-PYRAZOLE(31618-80-1)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 31618-80-1(Hazardous Substances Data)

Usage

General Description

3-Methyl-5-(2-thienyl)-1H-pyrazole is an organic compound with the molecular formula C9H8N2S. It is a pyrazole derivative containing a thienyl group, and it is commonly used in organic synthesis and as a building block for various pharmaceutical drugs and agrochemicals. This chemical structure has potential applications in the field of medicinal chemistry due to its ability to interact with biological targets. It possesses diverse biological activities and has been studied for its potential as an anti-inflammatory, antifungal, and anticancer agent. Additionally, it is also used as a ligand in coordination chemistry and as a reagent in organic reactions.

InChI:InChI=1/C8H8N2S/c1-6-5-7(10-9-6)8-3-2-4-11-8/h2-5H,1H3,(H,9,10)

Upstream product

• 3051-27-2 1-(2-thienyl)-1,3-butanedione 
• 112677-16-4 3-(dimethylamino)-1-(thiophen-2-yl)but-2-en-1-one 
• 88-15-3 2-Acetylthiophene 
• 54971-76-5 1-(thiophen-2-yl)buta-2,3-dien-1-one 
• 874-83-9 2-thenylideneacetone 

Downstream Products

• 5334-38-3 3-methyl-4-nitropyrazole-5-carboxylic acid 
• 1430100-75-6 1-(3'-phenylquinoxalin-2'-yl)-5-methyl-3-(2-thienyl)pyrazole 

Relevant articles and documents

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Heck Reactions of Acrolein or Enones and Aryl Bromides – Synthesis of 3-Aryl Propenals or Propenones and Consecutive Application in Multicomponent Pyrazole Syntheses

3-(Hetero)aryl propenals or propenones are efficiently prepared by a Heck reaction of (hetero)aryl bromides and acrolein or vinyl ketones using Beller's CataCXium Ptb ligand under Jeffery's and Fu's conditions. The formation of these three-carbon building blocks is embedded into consecutive three- and pseudo-four-component syntheses of 3-(hetero)aryl and 3,5-diarylpyrazoles with a broad substitution pattern in moderate to excellent yield.

Pyrazole compound containing N-aryl sulfonate and synthesis and application thereof

The invention discloses a pyrazole compound containing N-aryl sulfonate. A structural formula of the pyrazole compound is shown in the description. Proofed by pharmacological study, the pyrazole compound has the advantages that the activity of cyclooxygenase 2 is inhibited; the high-efficiency inhibition function on the generation of cyclooxygenase 2 due to inflammation mediums is realized, so that the pyrazole compound can be used as an active matter, and the prepared anti-inflammation medicine can be used for treating the inflammations, such as rheumatic arthritis and rheumatalgia, and the diseases and symptoms, such as fevers.