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1,3-Benzodioxole-5-Carboxylic Acid, 7-(((1,3-Benzodioxol-5-Ylcarbonyl) Oxy)Methyl)-2,3,5,7A-Tetrahydro-1H-Pyrrolizin-1-Yl Ester, (1R-Trans)- CAS NO 39818-13-8
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CAS No.:39818-13-8
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
1,3-Benzodioxole-5-Carboxylic Acid, 7-(((1,3-Benzodioxol-5-Ylcarbonyl) Oxy)Methyl)-2,3,5,7A-Tetrahydro-1H-Pyrrolizin-1-Yl Ester, (1R-Trans)- is a complex, stereochemically defined organic ester of significant interest in advanced chemical synthesis. This compound serves as a critical high-purity intermediate or building block for the development of specialized molecules in pharmaceutical and agrochemical research. It is primarily needed by R&D chemists and process development scientists working on novel active ingredients, where its specific stereochemistry and functional groups are essential for target activity.
Application
- Pharmaceutical Intermediate: Key building block in the synthesis of novel drug candidates, particularly in central nervous system (CNS) or other therapeutic areas.
- Agrochemical Research: Used in the development of new pesticides or herbicides where the benzodioxole moiety is a common pharmacophore.
- Chemical Biology Probe: Serves as a precursor for labeled compounds or molecular probes used in biochemical and pharmacological studies.
- Process Chemistry: Employed in route scouting and optimization for the scalable production of complex target molecules.
- Academic Research: Utilized in university and institutional labs for methodological development in organic synthesis and stereochemistry.
- Custom Synthesis: A starting point for contract research organizations (CROs) and CDMOs producing client-specific advanced intermediates.
Basic Information
| Product Name | 1,3-Benzodioxole-5-Carboxylic Acid, 7-(((1,3-Benzodioxol-5-Ylcarbonyl) Oxy)Methyl)-2,3,5,7A-Tetrahydro-1H-Pyrrolizin-1-Yl Ester, (1R-Trans)- |
| CAS No. | 39818-13-8 |
| Molecular Formula | C24H21NO8 |
| Molecular Weight | 451.43 g/mol |
| Synonyms | (1R-trans)-7-[[(1,3-Benzodioxol-5-ylcarbonyl)oxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl 1,3-benzodioxole-5-carboxylate; 7-(((1,3-Benzodioxol-5-ylcarbonyl)oxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl 1,3-benzodioxole-5-carboxylate, (1R-trans)-; 39818-13-8; (1R,7aR)-1-({[(1,3-benzodioxol-5-yl)carbonyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl 1,3-benzodioxole-5-carboxylate |
| EINECS | Contact for details |
Quality Control
Our 1,3-Benzodioxole-5-Carboxylic Acid, 7-(((1,3-Benzodioxol-5-Ylcarbonyl) Oxy)Methyl)-2,3,5,7A-Tetrahydro-1H-Pyrrolizin-1-Yl Ester, (1R-Trans)- is produced under strict quality management systems. Each batch undergoes comprehensive analytical testing including HPLC, NMR, and chiral purity analysis to ensure identity, strength, quality, and purity. Certificates of Analysis (COA) detailing all specifications and results are provided and available upon request, supporting compliance with cGMP and ICH guidelines for advanced pharmaceutical intermediates.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Keep the container tightly sealed in a dry environment to minimize exposure to moisture. For long-term storage, consider storage under an inert atmosphere.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white powder or crystalline solid |
| Identification (IR) | Conforms to structure |
| Identification (HPLC) | Retention time matches reference standard |
| Purity (HPLC) | ≥ 98.0% |
| Chiral Purity (Chiral HPLC) | ≥ 99.0% ee (1R,7aR) |
| Water Content (KF) | ≤ 0.5% |
| 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.
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