Description

Methyl 3-(5-(3,5-Dichloro-4-Fluorophenyl)-5-(Trifluoromethyl)-4,5-Dihydroisoxazol-3-Yl)-5,6-Dihydro-4H-Cyclopenta[C]Thiophene-1-Carboxylate is a high-purity, advanced pharmaceutical intermediate characterized by its complex heterocyclic structure incorporating isoxazoline and cyclopentathiophene motifs. This compound is of significant commercial importance as a key building block in the synthesis of novel active pharmaceutical ingredients (APIs), particularly in therapeutic areas requiring targeted molecular scaffolds. It is primarily sought by research institutions and pharmaceutical manufacturers engaged in the development of new chemical entities for agrochemical and pharmaceutical applications.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the multi-step synthesis of proprietary drug candidates, especially those targeting central nervous system (CNS) disorders or inflammatory pathways.
• Agrochemical Research: Used as a core structural component in the development of next-generation herbicides and fungicides, leveraging its halogenated aromatic and trifluoromethyl groups.
• Chemical Biology Probe: Employed in academic and industrial research to study enzyme inhibition or receptor binding due to its distinctive three-dimensional architecture.
• Process Chemistry & Scale-Up: Supplied for route scouting, optimization, and pilot-scale production campaigns under current Good Manufacturing Practice (cGMP) conditions where required.
• Custom Synthesis Building Block: Provided to contract research and manufacturing organizations (CROs/CMOs) for the construction of complex molecular libraries for high-throughput screening.

Basic Information

Product Name	Methyl 3-(5-(3,5-Dichloro-4-Fluorophenyl)-5-(Trifluoromethyl)-4,5-Dihydroisoxazol-3-Yl)-5,6-Dihydro-4H-Cyclopenta[C]Thiophene-1-Carboxylate
CAS No.	1414378-14-5
Molecular Formula	C19H13Cl2F4NO3S
Molecular Weight	482.27 g/mol
Synonyms	Methyl 3-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carboxylate; 4H-Cyclopenta[c]thiophene-1-carboxylic acid, 3-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydro-3-isoxazolyl]-5,6-dihydro-, methyl ester; CAS 1414378-14-5; Cyclopentathiophene-isoxazoline derivative; Methyl 3-(5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-1-carboxylate (tautomeric form).
EINECS	Contact for details

Quality Control

Our production of Methyl 3-(5-(3,5-Dichloro-4-Fluorophenyl)-5-(Trifluoromethyl)-4,5-Dihydroisoxazol-3-Yl)-5,6-Dihydro-4H-Cyclopenta[C]Thiophene-1-Carboxylate adheres to stringent quality management systems. The material undergoes comprehensive analytical testing, including HPLC for purity, NMR and MS for structural confirmation, and rigorous control of residual solvents and impurities. A detailed Certificate of Analysis (COA) is provided with each batch, ensuring traceability and compliance with client specifications and relevant regulatory guidelines for advanced intermediates.

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 the container tightly sealed in its original packaging to minimize exposure to atmospheric moisture and light, which may affect long-term stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (HPLC)	Retention time corresponds to reference standard
Identification (IR)	Spectrum matches reference
Purity (HPLC)	≥ 98.0%
Related Substances (HPLC)	Any individual impurity ≤ 0.5%, Total impurities ≤ 2.0%
Residual Solvents (GC)	Complies with ICH Q3C guidelines
Water Content (KF)	≤ 0.5%
Heavy Metals	≤ 20 ppm

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