Description

3-(4-Isobutylphenyl)-1-o-Tolyl-1H-Pyrazole-5-Carboxylic Acid is a high-purity, functionalized pyrazole derivative serving as a critical advanced intermediate in organic synthesis. This compound matters for its role in constructing complex molecular architectures, particularly in the development of novel active pharmaceutical ingredients (APIs) and specialty agrochemicals. It is primarily needed by research and development chemists, process development scientists, and manufacturers in the pharmaceutical, agrochemical, and fine chemical industries seeking to build or modify pyrazole-based core structures. The CAS number for this compound is 618102-98-0.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of novel drug candidates, particularly non-steroidal anti-inflammatory drugs (NSAIDs) and other bioactive molecules targeting inflammation and pain.
• Agrochemical Research: Used in the development of next-generation herbicides, fungicides, and insecticides, leveraging the pyrazole scaffold's bioactivity.
• Material Science Precursor: Serves as a monomer or functional additive in the synthesis of specialized polymers and advanced organic materials.
• Chemical Biology Probe: Utilized in medicinal chemistry for structure-activity relationship (SAR) studies and as a tool compound in biochemical assays.
• Custom Synthesis & Contract Manufacturing: A vital starting material for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) producing client-specific molecules.
• Academic & Industrial R&D: Employed in research laboratories for methodological development and exploring new chemical reactions involving carboxylic acid and pyrazole functionalities.

Basic Information

Product Name	3-(4-Isobutylphenyl)-1-o-Tolyl-1H-Pyrazole-5-Carboxylic Acid
CAS No.	618102-98-0
Molecular Formula	C21H22N2O2
Molecular Weight	334.42 g/mol
Synonyms	1-(2-Methylphenyl)-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid; 3-(4-Isobutylphenyl)-1-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid; 1-o-Tolyl-3-(4-isobutylphenyl)-1H-pyrazole-5-carboxylic acid; Pyrazole-5-carboxylic acid, 3-(4-isobutylphenyl)-1-(2-methylphenyl)-; SCHEMBL2180621; AKOS040759246; ZINC000253909991; A1-00826
EINECS	Contact for details

Quality Control

Our production of 3-(4-Isobutylphenyl)-1-o-Tolyl-1H-Pyrazole-5-Carboxylic Acid adheres to stringent quality management protocols. Every batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via IR and NMR spectroscopy, to ensure compliance with exacting customer specifications and industry standards. Certificates of Analysis (COA) detailing all critical quality attributes are provided with each shipment and are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep the container tightly sealed in its original packaging to minimize exposure to moisture and atmospheric contaminants. Due to its sensitivity to strong acids and organic solvents, store separately from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference standard
Purity (HPLC)	≥ 98.0%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals (as Pb)	≤ 20 ppm
Single Unknown Impurity (HPLC)	≤ 0.5%
Total Impurities (HPLC)	≤ 2.0%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.