Description

3-[[[[[4-(1,1-Dimethylethyl)Phenoxy]Acetyl]Amino]Thioxomethyl]Amino]-Benzoic Acid is a specialized organic compound featuring a benzoic acid core functionalized with a thiourea linkage and a tert-butylphenoxyacetyl group. This molecular architecture makes it a valuable advanced intermediate or building block for the synthesis of more complex molecules, particularly in pharmaceutical and agrochemical research. It is primarily sought by R&D chemists and process development scientists working on novel active ingredients, where its unique structure can impart specific biological activity or physicochemical properties.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the research and development of new drug candidates, potentially for therapeutic areas requiring targeted molecular scaffolds.
• Agrochemical Research: Used in the synthesis of novel herbicides, fungicides, or plant growth regulators, leveraging its phenolic and thiourea functionalities.
• Chemical Biology Probe: Acts as a building block for creating molecular probes to study enzyme inhibition or protein-ligand interactions in biological systems.
• Material Science Precursor: Can be utilized in the development of specialty polymers or functional materials where its aromatic and amide groups contribute to material properties.
• Custom Synthesis & Contract Manufacturing: A critical starting material for fine chemical manufacturers offering bespoke synthesis services to the life sciences industry.

Basic Information

Product Name	3-[[[[[4-(1,1-Dimethylethyl)Phenoxy]Acetyl]Amino]Thioxomethyl]Amino]-Benzoic Acid
CAS No.	531519-95-6
Molecular Formula	C20H22N2O4S
Molecular Weight	386.47 g/mol
Synonyms	3-({[(4-tert-Butylphenoxy)acetyl]carbamothioyl}amino)benzoic acid; Benzoic acid, 3-[[[[[4-(1,1-dimethylethyl)phenoxy]acetyl]amino]thioxomethyl]amino]-; N-[(4-tert-Butylphenoxy)acetyl]-N'-(3-carboxyphenyl)thiourea; 3-[(4-tert-Butylphenoxy)acetylamino]thioureidobenzoic acid; 531519-95-6; tert-Butylphenoxyacetyl thiourea benzoic acid derivative
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management protocols. Each batch is characterized using modern analytical techniques to ensure identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) is provided with every shipment, detailing specifications such as assay (HPLC), related substances, and physical properties. We support cGMP-compliant manufacturing for applications requiring the highest standards of documentation and traceability.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Keep away from incompatible materials. For long-term storage under inert atmosphere, please contact our technical team for specific recommendations.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Related Substances (HPLC)	Total impurities ≤ 3.0%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%

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