Description

Benzo[B]Thiophene-2-Carboxylic Acid, 3-Chloro-6-Fluoro-, 2-[4,5-Dihydro-5-(4-Methoxyphenyl)-3-Phenyl-1H-Pyrazol-1-Yl]-2-Oxoethyl Ester (9Ci) is a high-purity, complex heterocyclic organic compound designed for advanced chemical synthesis. This specialized intermediate is critical for research and development in the pharmaceutical sector, where precise molecular architecture is required. It serves as a key building block for medicinal chemists and process development scientists targeting novel therapeutic agents.

Application

• Pharmaceutical Intermediate: A crucial precursor in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders, inflammation, or oncology.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies and lead optimization programs due to its unique benzo[b]thiophene and pyrazole hybrid scaffold.
• Process Chemistry Development: Serves as a key intermediate for scaling up synthetic routes under current Good Manufacturing Practice (cGMP) conditions for clinical trial material production.
• Agrochemical Research: Potential application in the development of new generation herbicides or fungicides, leveraging its halogenated aromatic structure.
• Material Science Exploration: Investigated as a monomer or functional additive for creating specialty polymers with specific electronic or optical properties.
• Contract Research & Manufacturing (CRAM): Supplied to organizations providing custom synthesis and process development services for the global life sciences industry.

Basic Information

Item	Details
Product Name	Benzo[B]Thiophene-2-Carboxylic Acid, 3-Chloro-6-Fluoro-, 2-[4,5-Dihydro-5-(4-Methoxyphenyl)-3-Phenyl-1H-Pyrazol-1-Yl]-2-Oxoethyl Ester (9Ci)
CAS No.	587835-11-8
Molecular Formula	C27H20ClFN2O4S
Molecular Weight	522.97 g/mol
Synonyms	3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid 2-[4,5-dihydro-5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-1-yl]-2-oxoethyl ester; 2-({[5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}methyl) 3-chloro-6-fluorobenzo[b]thiophene-2-carboxylate; 587835-11-8; 3-Chloro-6-fluoro-benzo[b]thiophene-2-carboxylic acid 2-[4,5-dihydro-5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-1-yl]-2-oxoethyl ester; Benzo[B]Thiophene-2-Carboxylic Acid, 3-Chloro-6-Fluoro-, 2-[4,5-Dihydro-5-(4-Methoxyphenyl)-3-Phenyl-1H-Pyrazol-1-Yl]-2-Oxoethyl Ester
EINECS	Contact for details

Quality Control

Every batch of this advanced intermediate is produced and controlled under a strict quality management system. We provide comprehensive analytical documentation, including a Certificate of Analysis (COA) detailing purity, identity, and impurity profiles via validated methods like HPLC and NMR. Our quality commitment ensures material suitable for demanding research and pre-clinical development applications, with traceability and lot-to-lot 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 (typically 15-25°C). The compound may be light-sensitive and should be handled under appropriate conditions to maintain stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
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.