Description

2,2,2-Trifluoro-n-[(S)-5,6,7,9-Tetrahydro-3-Hydroxy-1,2-Dimethoxy-10-(Methylthio)-9-Oxobenzo[A]Heptalene-7-Yl]Acetamide is a high-purity, chiral synthetic intermediate of significant interest in advanced pharmaceutical research and development. Its complex molecular architecture, featuring a benzoheptalene core with trifluoroacetamide and methoxy substituents, makes it a critical building block for the synthesis of novel therapeutic agents. This compound is primarily sought after by R&D chemists and process development scientists in the pharmaceutical and biotechnology sectors working on new chemical entities, particularly in areas requiring sophisticated fluorinated scaffolds.

Application

• Pharmaceutical Intermediate: Serves as a key chiral precursor in the synthesis of potential active pharmaceutical ingredients (APIs), especially for central nervous system (CNS) or oncology targets.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies to explore and optimize the biological activity of new drug candidates.
• Process Chemistry & Scale-Up: Employed in route development and optimization for the commercial-scale manufacturing of complex drug molecules.
• Reference Standard: Can be utilized as an analytical standard for method development and quality control in API manufacturing.
• Biochemical Tool Compound: Potential use in biochemical assays to study enzyme inhibition or receptor binding mechanisms.

Basic Information

Product Name	2,2,2-Trifluoro-n-[(S)-5,6,7,9-Tetrahydro-3-Hydroxy-1,2-Dimethoxy-10-(Methylthio)-9-Oxobenzo[A]Heptalene-7-Yl]Acetamide
CAS No.	123643-51-6
Molecular Formula	C20H20F3NO6S
Molecular Weight	459.44 g/mol
Synonyms	(S)-N-(5,6,7,9-Tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl)-2,2,2-trifluoroacetamide; 2,2,2-Trifluoro-N-[(7S)-5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylsulfanyl)-9-oxobenzo[a]heptalen-7-yl]acetamide; Benzo[a]heptalene-7-acetamide derivative; Trifluoroacetamide benzoheptalene intermediate; CAS 123643-51-6.
EINECS	Contact for details

Quality Control

Our 2,2,2-Trifluoro-n-[(S)-5,6,7,9-Tetrahydro-3-Hydroxy-1,2-Dimethoxy-10-(Methylthio)-9-Oxobenzo[A]Heptalene-7-Yl]Acetamide is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including chiral purity verification, to ensure it meets the stringent requirements for pharmaceutical R&D. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting identity, purity, and impurity profiles.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and light-sensitive; therefore, containers must be kept tightly sealed in a dry environment and opened under controlled conditions to minimize exposure to atmospheric moisture and light.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 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.