Description

5H-1,3-Dioxolo4,5-Cpyrrole-5-Carboxylic Acid, 4-(Cyanomethyl)-6-(Fluoromethyl)Tetrahydro-2,2-Dimethyl-, 1,1-Dimethylethyl Ester, (3As,4S,6S,6Ar)- is a high-purity, advanced pharmaceutical intermediate characterized by its complex, stereochemically defined bicyclic structure. This compound is of critical importance for the synthesis of novel active pharmaceutical ingredients (APIs), particularly in therapeutic areas requiring precise molecular architecture. It is primarily needed by research institutions and pharmaceutical manufacturers engaged in the development of next-generation small-molecule drugs, where it serves as a key chiral building block.

Application

• Pharmaceutical Intermediate: A crucial chiral synthon in the multi-step synthesis of complex drug candidates, especially for central nervous system (CNS) and antiviral targets.
• Medicinal Chemistry Research: Used in lead optimization and structure-activity relationship (SAR) studies to explore new chemical entities.
• Process Chemistry Development: Serves as a reference standard and starting material for scaling up synthetic routes under current Good Manufacturing Practice (cGMP) conditions.
• Contract Research & Manufacturing (CRAM): Supplied to organizations specializing in custom synthesis and development services for the global pharmaceutical industry.
• Academic Research: Utilized in university and institutional labs for methodological studies in organic synthesis and asymmetric catalysis.

Basic Information

Product Name	5H-1,3-Dioxolo4,5-Cpyrrole-5-Carboxylic Acid, 4-(Cyanomethyl)-6-(Fluoromethyl)Tetrahydro-2,2-Dimethyl-, 1,1-Dimethylethyl Ester, (3As,4S,6S,6Ar)-
CAS No.	222631-90-5
Molecular Formula	C15H21FN2O4
Molecular Weight	312.34 g/mol
Synonyms	(3aS,4S,6S,6aR)-4-(Cyanomethyl)-6-(fluoromethyl)-2,2-dimethyltetrahydro-5H-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid tert-butyl ester; tert-Butyl (3aS,4S,6S,6aR)-4-(cyanomethyl)-6-(fluoromethyl)-2,2-dimethyltetrahydro-5H-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate; (3aS,4S,6S,6aR)-tert-Butyl 4-(cyanomethyl)-6-(fluoromethyl)-2,2-dimethyltetrahydro-5H-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate; CAS 222631-90-5; 5H-[1,3]Dioxolo[4,5-c]pyrrole-5-carboxylic acid, 4-(cyanomethyl)-6-(fluoromethyl)tetrahydro-2,2-dimethyl-, 1,1-dimethylethyl ester, (3aS,4S,6S,6aR)-
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems, ensuring batch-to-batch consistency and high purity suitable for pharmaceutical research and development. Quality is verified through comprehensive analytical techniques including HPLC, GC, NMR, and chiral analysis. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting identity, purity, and impurity profiles. We support development under cGMP guidelines as required for clinical trial material.

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). The compound is moisture-sensitive (hygroscopic); keep the container tightly sealed under an inert atmosphere such as nitrogen or argon to prevent degradation. Keep away from strong acids, bases, and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Related Substances (HPLC)	Any single impurity ≤ 0.5%; Total impurities ≤ 1.5%
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.