Description

3-[[[[[4-(1,1-Dimethylethyl)Phenoxy]Acetyl]Amino]Thioxomethyl]Amino]-2-Methyl-Benzoic Acid is a specialized organic compound featuring a complex molecular architecture designed for high-value chemical synthesis. This compound matters as a versatile intermediate, offering a unique combination of a benzoic acid core, a thioxomethylamino linker, and a tert-butylphenoxy acetyl group, enabling precise molecular modifications. It is primarily needed by research and development chemists in the pharmaceutical and agrochemical industries for creating novel active ingredients and advanced materials.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in therapeutic areas requiring complex small molecules.
• Agrochemical Research: Used in developing next-generation herbicides, fungicides, or plant growth regulators, leveraging its specific aromatic and amide functionalities.
• Advanced Material Synthesis: Serves as a precursor for specialty polymers, liquid crystals, or organic electronic materials due to its rigid, multi-functional structure.
• Chemical Biology Probe Development: Utilized in creating labeled compounds or affinity probes for studying biological pathways and target engagement.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for client-specific, multi-step synthetic projects.
• Academic & Industrial R&D: Essential for methodological research in organic chemistry, including new reaction development and catalysis studies.

Basic Information

Product Name	3-[[[[[4-(1,1-Dimethylethyl)Phenoxy]Acetyl]Amino]Thioxomethyl]Amino]-2-Methyl-Benzoic Acid
CAS No.	535979-38-5
Molecular Formula	C22H27N3O4S
Molecular Weight	429.53 g/mol
Synonyms	3-({[(4-tert-Butylphenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic Acid; 2-Methyl-3-[[[[[4-(1,1-dimethylethyl)phenoxy]acetyl]amino]thioxomethyl]amino]benzoic Acid; 3-[[[[[4-(tert-Butyl)phenoxy]acetyl]amino]thioxomethyl]amino]-2-methylbenzoic Acid; Benzoic acid, 3-[[[[[4-(1,1-dimethylethyl)phenoxy]acetyl]amino]thioxomethyl]amino]-2-methyl-; CAS 535979-38-5
EINECS	Contact for details

Quality Control

Our 3-[[[[[4-(1,1-Dimethylethyl)Phenoxy]Acetyl]Amino]Thioxomethyl]Amino]-2-Methyl-Benzoic Acid is produced under a strict quality management system. Every batch undergoes rigorous analytical testing to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing key parameters such as assay, impurity profile, and physical characteristics. Our quality commitment supports applications in regulated research and development environments.

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
Assay (HPLC)	≥ 97.0%
Loss on Drying	≤ 1.0%
Related Substances (HPLC)	Total impurities ≤ 3.0%
Single Unknown Impurity	≤ 1.0%
Residual Solvents (GC)	Complies with ICH guidelines

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