Description

5H-1,3-Dioxolo4,5-cpyrrole-5-carboxylic acid, 4-4-(benzoylamino)(methylthio)methyleneamino-5-(ethoxycarbonyl)-1H-pyrrol-3-yltetrahydro-2,2,6-trimethyl-, 1,1-dimethylethyl ester, (3aS,4S,6R,6aR)- is a complex, stereochemically defined pyrrole derivative that serves as a critical advanced intermediate in modern pharmaceutical synthesis. Its intricate molecular architecture, featuring multiple functional groups and a defined stereochemistry, makes it invaluable for constructing sophisticated active pharmaceutical ingredients (APIs). This compound is primarily sought after by research institutions and pharmaceutical manufacturers engaged in the development of novel therapeutics, particularly in areas requiring high-purity chiral building blocks.

Application

• Pharmaceutical Intermediate: Key chiral building block for the synthesis of complex drug candidates and active pharmaceutical ingredients (APIs).
• Organic Synthesis Research: Valuable reagent for academic and industrial R&D exploring new heterocyclic compounds and reaction methodologies.
• Preclinical & Clinical Development: Used in the production of materials for pharmacological testing and early-stage clinical trial batches.
• Process Chemistry: Employed in route scouting and optimization for the scalable manufacture of target molecules.
• Contract Manufacturing (CMO/CDMO): Supplied to specialized facilities producing custom intermediates under cGMP conditions.

Basic Information

Product Name	5H-1,3-Dioxolo4,5-cpyrrole-5-carboxylic acid, 4-4-(benzoylamino)(methylthio)methyleneamino-5-(ethoxycarbonyl)-1H-pyrrol-3-yltetrahydro-2,2,6-trimethyl-, 1,1-dimethylethyl ester, (3aS,4S,6R,6aR)-
CAS No.	222631-42-7
Molecular Formula	C30H37N3O7S
Molecular Weight	583.70 g/mol
Synonyms	(3aS,4S,6R,6aR)-tert-Butyl 4-((4-(benzoylamino)(methylthio)methylene)amino)-5-(ethoxycarbonyl)-1H-pyrrol-3-yl)-2,2,6-trimethyltetrahydro-5H-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate; tert-Butyl (3aS,4S,6R,6aR)-4-[4-[[(Benzoylamino)(methylthio)methylene]amino]-5-(ethoxycarbonyl)-1H-pyrrol-3-yl]-2,2,6-trimethyltetrahydro-5H-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate; CAS 222631-42-7; Pyrrole derivative intermediate 222631-42-7; Advanced pharmaceutical intermediate.
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to stringent quality protocols suitable for pharmaceutical R&D and development. Each batch is characterized and tested to ensure identity, purity, and consistency. Certificates of Analysis (COA) are provided, detailing key parameters such as chiral purity, chemical purity (HPLC), and residual solvents. We support development with custom synthesis and scale-up services under quality management systems aligned with cGMP principles for investigational materials.

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 is likely light-sensitive and may be hygroscopic; therefore, handling under an inert atmosphere and desiccated conditions is recommended for long-term storage.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% ee
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Complies with ICH Q3C guidelines

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