Description

(-)-3-(5-Formyl-2-hydroxyphenyloxy)-4-methoxybenzoic acid (5aS,6S)-1,2,3,4,5a,6-hexahydro-2-methyl-1,4-dioxo-3-thioxooxepino[3',4':4,5]pyrrolo[1,2-a]pyrazine-6-yl ester is a high-purity, complex heterocyclic ester compound of significant interest in advanced synthetic chemistry. Its intricate molecular architecture, featuring fused oxepine, pyrrolo, and pyrazine rings, makes it a valuable chiral building block and intermediate for the development of novel pharmacologically active molecules. This compound is primarily utilized by research institutions and pharmaceutical R&D departments engaged in the synthesis of new chemical entities, particularly for exploring structure-activity relationships in medicinal chemistry programs.

Application

• Pharmaceutical Intermediate: Serves as a key chiral synthon in the research and development of new drug candidates, especially for complex target molecules.
• Medicinal Chemistry Research: Used as a sophisticated building block for constructing libraries of compounds to screen for biological activity.
• Asymmetric Synthesis: Employed in advanced organic synthesis due to its defined stereochemistry at multiple centers, aiding in the study of stereoselective reactions.
• Chemical Biology Probes: Potential use in the design and synthesis of molecular probes for studying enzyme mechanisms or protein interactions.
• Academic Research: Utilized in university and institutional labs for methodological development in heterocyclic and natural product-like compound synthesis.
• Process Chemistry Development: Acts as a model compound or intermediate during the scale-up and optimization of synthetic routes for active pharmaceutical ingredients (APIs).

Basic Information

Product Name	(-)-3-(5-Formyl-2-hydroxyphenyloxy)-4-methoxybenzoic acid (5aS,6S)-1,2,3,4,5a,6-hexahydro-2-methyl-1,4-dioxo-3-thioxooxepino[3',4':4,5]pyrrolo[1,2-a]pyrazine-6-yl ester
CAS No.	105637-72-7
Molecular Formula	C27H20N2O9S
Molecular Weight	548.52 g/mol
Synonyms	(-)-3-(5-Formyl-2-hydroxyphenoxy)-4-methoxybenzoic acid (5aS,6S)-1,2,3,4,5a,6-hexahydro-2-methyl-1,4-dioxo-3-thioxooxepino[3',4':4,5]pyrrolo[1,2-a]pyrazine-6-yl ester; (5aS,6S)-6-[[3-(5-Formyl-2-hydroxyphenoxy)-4-methoxybenzoyl]oxy]-2-methyl-1,2,3,4,5a,6-hexahydro-1,4-dioxo-3-thioxooxepino[3',4':4,5]pyrrolo[1,2-a]pyrazine; CAS 105637-72-7; Oxepino[3',4':4,5]pyrrolo[1,2-a]pyrazine-6-carboxylic acid derivative.
EINECS	Contact for details

Quality Control

Our (-)-3-(5-Formyl-2-hydroxyphenyloxy)-4-methoxybenzoic acid (5aS,6S)-1,2,3,4,5a,6-hexahydro-2-methyl-1,4-dioxo-3-thioxooxepino[3',4':4,5]pyrrolo[1,2-a]pyrazine-6-yl ester is manufactured under strict quality control protocols suitable for research and development applications. Each batch is characterized using advanced analytical techniques including HPLC, NMR, and mass spectrometry to ensure identity, purity, and chiral integrity. Comprehensive Certificates of Analysis (COA) detailing all relevant specifications are provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (typically 15-25°C). This compound may be light-sensitive and/or moisture-sensitive; handling under an inert atmosphere is recommended for long-term storage.

Specification

Item	Specification
Appearance	Off-white to light yellow solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Chiral Purity (HPLC)	≥ 98.0% ee
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

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