Description

1H-Indole-2-Propanoic Acid, 1-[(4-Chlorophenyl)Methyl]-3-[(1,1-Dimethylethyl)Thio]-5-Hydroxy-α,α-Dimethyl-, Methyl Ester is a sophisticated indole-based synthetic intermediate of significant interest in advanced organic synthesis. This compound matters for its role as a key building block in the development of novel pharmacologically active molecules, particularly due to its complex substitution pattern. It is primarily needed by research institutions and pharmaceutical companies engaged in medicinal chemistry, process development, and the synthesis of new chemical entities for drug discovery programs.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the synthesis of novel drug candidates, particularly those targeting neurological or inflammatory pathways.
• Medicinal Chemistry Research: Used as a scaffold for structure-activity relationship (SAR) studies to optimize biological activity and pharmacokinetic properties.
• Process Chemistry Development: Employed in route scouting and optimization for the scalable production of active pharmaceutical ingredients (APIs).
• Biochemical Research: May be utilized as a tool compound or ligand in biochemical assays to study protein interactions and enzyme inhibition.
• Fine Chemical Synthesis: Acts as a specialized building block for creating complex, high-value organic molecules for various research applications.

Basic Information

Item	Details
Product Name	1H-Indole-2-Propanoic Acid, 1-[(4-Chlorophenyl)Methyl]-3-[(1,1-Dimethylethyl)Thio]-5-Hydroxy-α,α-Dimethyl-, Methyl Ester
CAS No.	136694-17-2
Molecular Formula	C25H30ClNO3S
Molecular Weight	460.03 g/mol
Synonyms	Methyl 1-[(4-chlorophenyl)methyl]-3-(tert-butylthio)-5-hydroxy-α,α-dimethyl-1H-indole-2-propanoate; 1-[(4-Chlorobenzyl)-3-(tert-butylthio)-5-hydroxy-α,α-dimethyl-1H-indole-2-propanoic Acid Methyl Ester; 1-(4-Chlorobenzyl)-3-tert-butylthio-5-hydroxy-α,α-dimethylindole-2-propionic Acid Methyl Ester; 136694-17-2; tert-Butyl 5-hydroxy-1-(4-chlorobenzyl)-α,α-dimethyl-2-(2-methoxy-2-oxoethyl)-1H-indole-3-carbodithioate (related name)
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. Every batch is characterized using advanced analytical techniques including HPLC, NMR, and mass spectrometry to confirm identity and purity. Certificates of Analysis (COA) documenting all critical quality attributes are available upon request. We adhere to a quality management system suitable for supplying materials for research and development under current Good Manufacturing Practice (cGMP) principles where required.

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). This material is likely light-sensitive and should be handled under appropriate conditions to maintain stability. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white powder or crystalline solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

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