Description

5-tert-Butyl-4,5,6,7-Tetrahydro-1-Benzothiophene-2-Carboxylic Acid CAS NO 126231-22-9 is a high-purity, advanced pharmaceutical intermediate characterized by its unique benzothiophene carboxylic acid structure. This compound is a critical building block in the synthesis of complex active pharmaceutical ingredients (APIs) and fine chemicals, where its specific stereochemistry and functional groups enable precise molecular construction. It is primarily utilized by research institutions and manufacturers in the pharmaceutical, agrochemical, and specialty chemical industries for the development of novel therapeutic agents and high-value chemical products.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly in central nervous system (CNS) and anti-inflammatory research.
• Agrochemical Synthesis: Used as a building block for developing advanced crop protection agents and herbicides.
• Material Science Research: Serves as a monomer or functional additive in the development of specialty polymers and organic electronic materials.
• Organic Synthesis Reagent: Employed in academic and industrial R&D for constructing complex heterocyclic compounds and conducting structure-activity relationship (SAR) studies.
• Fine Chemical Production: Integral to the manufacture of high-value specialty chemicals used in flavors, fragrances, and advanced catalysts.

Basic Information

Product Name	5-tert-Butyl-4,5,6,7-Tetrahydro-1-Benzothiophene-2-Carboxylic Acid
CAS No.	126231-22-9
Molecular Formula	C14H20O2S
Molecular Weight	252.37 g/mol
Synonyms	5-tert-Butyl-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid; 5-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic Acid; 5-tert-Butyl-4,5,6,7-tetrahydro-2-benzothiophenecarboxylic acid; 2-Carboxy-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene; 126231-22-9; 5-tert-Butyl-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate (deprotonated form)
EINECS	Contact for details

Quality Control

Our 5-tert-Butyl-4,5,6,7-Tetrahydro-1-Benzothiophene-2-Carboxylic Acid is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high purity and consistent chemical identity. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical parameters. Our production adheres to cGMP principles where applicable, ensuring reliability for your most demanding synthesis workflows.

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). The product should be kept under an inert atmosphere for long-term storage to maintain stability. Keep away from strong oxidizing agents, strong bases, and heat sources.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference standard
Assay (HPLC)	≥ 98.0%
Related Substances (HPLC)	Total impurities ≤ 2.0%
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.