Description

1H-Cyclopenta[B]Benzofuran-2-Carboxylic Acid, 2,3,3A,8B-Tetrahydro-1,6,8B-Trihydroxy-8-Methoxy-3A-(4-Methoxyphenyl)-3-Phenyl-, Methyl Ester, (1S,2S,3R,3As,8Br)- is a high-purity, stereochemically defined complex organic intermediate of significant interest in advanced pharmaceutical synthesis. Its intricate polycyclic structure with multiple chiral centers makes it a valuable building block for the research and development of novel therapeutic agents. This compound is primarily targeted at R&D chemists and process development scientists in the pharmaceutical, biotechnology, and fine chemical industries.

Application

• Pharmaceutical Intermediate: Serves as a critical chiral scaffold in the synthesis of potential drug candidates, particularly for central nervous system (CNS) or anti-inflammatory targets.
• Medicinal Chemistry Research: Used as a building block for constructing complex molecular libraries in structure-activity relationship (SAR) studies and hit-to-lead optimization.
• Process Chemistry Development: Employed in route scouting and scale-up studies for the production of active pharmaceutical ingredients (APIs) requiring this specific benzofuran core.
• Asymmetric Synthesis: Utilized as a substrate or template in catalytic asymmetric reactions due to its multiple stereogenic centers.
• Reference Standard: Acts as a high-purity analytical standard for quality control and method development in regulatory filings.
• Academic Research: Used in university and institutional labs for studies in organic synthesis methodology and natural product analog synthesis.

Basic Information

Product Name	1H-Cyclopenta[B]Benzofuran-2-Carboxylic Acid, 2,3,3A,8B-Tetrahydro-1,6,8B-Trihydroxy-8-Methoxy-3A-(4-Methoxyphenyl)-3-Phenyl-, Methyl Ester, (1S,2S,3R,3As,8Br)-
CAS No.	1112993-18-6
Molecular Formula	C27H26O8
Molecular Weight	478.49 g/mol
Synonyms	(1S,2S,3R,3aS,8bR)-Methyl 1,6,8b-trihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-2-carboxylate; Methyl (1S,2S,3R,3aS,8bR)-1,6,8b-trihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-2-carboxylate; 1H-Cyclopenta[b]benzofuran-2-carboxylic acid, 2,3,3a,8b-tetrahydro-1,6,8b-trihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-, methyl ester, (1S,2S,3R,3aS,8bR)-; CAS 1112993-18-6; Complex Benzofuran Ester Intermediate; Chiral Cyclopentabenzofuran Derivative.
EINECS	Contact for details

Quality Control

Our 1H-Cyclopenta[B]Benzofuran-2-Carboxylic Acid, 2,3,3A,8B-Tetrahydro-1,6,8B-Trihydroxy-8-Methoxy-3A-(4-Methoxyphenyl)-3-Phenyl-, Methyl Ester, (1S,2S,3R,3As,8Br)- is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including chiral purity verification by HPLC, to ensure identity, strength, and compositional integrity. Certificates of Analysis (COA) detailing all specifications and test results are provided and can be tailored to meet specific customer or regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed to minimize exposure to atmospheric moisture. For long-term storage, consider using desiccants or an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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