70598-03-7

Basic information

• Product Name: (1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)ACETIC ACID
• Synonyms: 2-(1,3,5-trimethyl-4-pyrazolyl)acetic acid;2-(1,3,5-trimethylpyrazol-4-yl)acetic acid;2-(1,3,5-trimethylpyrazol-4-yl)ethanoic acid
• CAS NO: 70598-03-7
• Molecular Formula: C₈H₁₂N₂O₂
• Molecular Weight: 168.2
• Mol File: 70598-03-7.mol

Chemical Properties

• Boiling Point: 320.713°C at 760 mmHg
• Flash Point: 147.762°C
• Appearance: /
• Density: 1.199g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.555
• PKA: 4.18±0.10(Predicted)
• CAS DataBase Reference: (1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)ACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)ACETIC ACID(70598-03-7)
• EPA Substance Registry System: (1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)ACETIC ACID(70598-03-7)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 70598-03-7(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)ACETIC ACID is used as a reactant for the synthesis of disubstituted 1,2,4-Oxadiazoles derivatives. These derivatives are important in the development of new materials and compounds with potential applications in various industries, such as pharmaceuticals, agrochemicals, and materials science.
Used in Pharmaceutical Industry:
(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)ACETIC ACID is used as a building block for the development of new pharmaceutical compounds. Its unique structure allows for the creation of novel molecules with potential therapeutic properties, making it a valuable asset in drug discovery and design.
Used in Agrochemical Industry:
(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)ACETIC ACID is used as a starting material for the synthesis of agrochemicals, such as pesticides and herbicides. Its reactivity and structural diversity enable the development of new compounds with improved efficacy and selectivity, contributing to more effective and environmentally friendly agricultural practices.
Used in Materials Science:
(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)ACETIC ACID is used as a component in the development of advanced materials with specific properties, such as conductivity, magnetism, or optical characteristics. Its incorporation into these materials can lead to novel applications in areas like electronics, sensors, and energy storage.

InChI:InChI=1/C8H12N2O2/c1-5-7(4-8(11)12)6(2)10(3)9-5/h4H2,1-3H3,(H,11,12)

Upstream product

• 70598-01-5 ethyl 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetate 
• 18835-02-4 ethyl 3-acetyl-4-oxopentanoate 
• 123-54-6 acetylacetone 

Relevant articles and documents

Design and synthesis of high affinity inhibitors of Plasmodium falciparum and Plasmodium vivax N-myristoyltransferases directed by ligand efficiency dependent lipophilicity (LELP)

N-Myristoyltransferase (NMT) is an essential eukaryotic enzyme and an attractive drug target in parasitic infections such as malaria. We have previously reported that 2-(3-(piperidin-4-yloxy)benzo[b]thiophen-2-yl)-5-((1,3, 5-trimethyl-1H-pyrazol-4-yl)meth

NOVEL COMPOUNDS AND THEIR USE IN THERAPY

The invention provides compounds which inhibit N-myristoyltransferase and are selective for protozoal N-myristoyltransferase and, consequently suitable to treat microbial infections, including viral and fungal infections, and protozoan infections such as malaria, leishmaniasis and sleeping sickness.

Pyrazol-4-acetic acid compounds

Pyrazol-4-acetic acid compounds, such as substituted pyrazol-4-acetic acid, its esters, amides, nitriles and their pharamaceutically acceptable salts and method for the preparation of these compounds are disclosed. The novel compounds are useful analgesics, anti-inflammatory, and antipyretics.