Description

4-Chloro-3-[[[[3-[4-(1-Methylethyl)Phenyl]-1-Oxo-2-Propenyl]Amino]Thioxomethyl]Amino]-Benzoic Acid is a specialized organic intermediate featuring a complex molecular architecture combining benzoic acid, chloro, and thiourea functionalities. This compound matters for its role as a critical building block in advanced organic synthesis, particularly for creating molecules with targeted biological activity. It is primarily needed by research institutions and pharmaceutical development companies engaged in the discovery and synthesis of novel active pharmaceutical ingredients (APIs) and agrochemicals. Its precise structure offers a versatile scaffold for further chemical modification.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the research and development of new drug candidates, particularly those targeting specific enzyme pathways.
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, or plant growth regulators where its unique structure can impart specific biological effects.
• Chemical Research: Acts as a valuable reagent in academic and industrial laboratories for studying structure-activity relationships (SAR) and novel organic reactions.
• Dye and Pigment Intermediate: Potential use in the synthesis of specialized dyes or pigments due to its conjugated system and functional groups.
• Material Science: Can be investigated as a monomer or additive for creating polymers with specific thermal or optical properties.

Basic Information

Product Name	4-Chloro-3-[[[[3-[4-(1-Methylethyl)Phenyl]-1-Oxo-2-Propenyl]Amino]Thioxomethyl]Amino]-Benzoic Acid
CAS No.	532417-76-8
Molecular Formula	C20H18ClN3O3S
Molecular Weight	415.89 g/mol
Synonyms	4-Chloro-3-({[(3-{4-[(1-methylethyl)phenyl]-1-oxo-2-propen-1-yl}amino)carbothioyl]amino})benzoic acid; Benzoic acid, 4-chloro-3-[[[[3-[4-(1-methylethyl)phenyl]-1-oxo-2-propenyl]amino]thioxomethyl]amino]-; 4-Chloro-3-[(Z)-({[3-(4-isopropylphenyl)-3-oxoprop-1-en-1-yl]amino}carbothioyl)amino]benzoic acid; 4-Chloro-3-({[(3-(4-isopropylphenyl)-3-oxoprop-1-en-1-yl)amino]carbothioyl}amino)benzoic acid; 4-Chloro-3-[[(3-(4-isopropylphenyl)acryloyl)carbamothioyl]amino]benzoic acid
EINECS	Contact for details

Quality Control

Our 4-Chloro-3-[[[[3-[4-(1-Methylethyl)Phenyl]-1-Oxo-2-Propenyl]Amino]Thioxomethyl]Amino]-Benzoic Acid is manufactured under strict quality management protocols. Every batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation, to ensure it meets the high standards required for research and development applications. A comprehensive Certificate of Analysis (COA) detailing purity, impurities, and physical characteristics is provided with each shipment to guarantee traceability and consistency.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation from atmospheric moisture. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Loss on Drying	≤ 2.0%
Residue on Ignition	≤ 0.5%
Heavy Metals	≤ 20 ppm
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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