Description

3-(3,4-Difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethylazepino[4,5-b]indole-5-carboxylic acid 1-methylethyl ester is a sophisticated heterocyclic organic compound featuring a complex fused ring system. This molecule is of significant interest as a key pharmaceutical intermediate or advanced building block in medicinal chemistry research and development. It is primarily sought by R&D chemists and process development scientists in the pharmaceutical and biotechnology sectors. The compound's unique structure, incorporating indole and azepine motifs with a difluorobenzoyl group, makes it valuable for synthesizing novel bioactive molecules targeting various therapeutic areas.

Application

• Pharmaceutical Intermediate: Serves as a critical building block in the synthesis of novel drug candidates, particularly in central nervous system (CNS) and oncology research.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies and lead optimization programs to develop new therapeutic agents.
• Process Chemistry Development: Employed in scaling up synthetic routes and optimizing manufacturing processes for active pharmaceutical ingredients (APIs).
• Biochemical Tool Compound: May be utilized in vitro to study specific biological pathways and protein interactions.
• Contract Research & Manufacturing (CRO/CMO): Supplied to organizations specializing in custom synthesis and development services for the pharmaceutical industry.
• Academic Research: Used in university and institutional labs for advanced organic synthesis and pharmacological studies.

Basic Information

Product Name	3-(3,4-Difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethylazepino[4,5-b]indole-5-carboxylic acid 1-methylethyl ester
CAS No.	629664-81-9
Molecular Formula	C25H24F2N2O3
Molecular Weight	438.47 g/mol
Synonyms	Isopropyl 3-(3,4-difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethylazepino[4,5-b]indole-5-carboxylate; 1,1-Dimethyl-3-(3,4-difluorobenzoyl)-2,3,6,7-tetrahydro-1H-azepino[4,5-b]indol-5-yl isopropyl carbonate (related structure); Azepino[4,5-b]indole-5-carboxylic acid ester derivative; 629664-81-9; SCHEMBL2354544; AKOS025147065; ZINC000004139756
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. We provide material that meets high-purity specifications suitable for research and development use. Certificates of Analysis (COA) are available upon request, detailing key parameters such as identity, purity, and impurity profile. Our quality system is designed to support cGMP and ISO guidelines for reliable and traceable material supply.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a dry, well-ventilated area. Keep away from incompatible materials. For long-term storage, consider storing under an inert atmosphere to maintain stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC/IR)	Conforms to reference standard
Assay (HPLC)	≥95.0%
Purity (HPLC, Area%)	≥97.0%
Single Unknown Impurity	≤1.0%
Total Impurities	≤3.0%
Residual Solvents (GC)	Meets ICH Q3C guidelines
Water Content (KF)	≤0.5%

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