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Cyclopropanecarbonyl Chloride, 3-(2-Chloro-2-Fluoroethenyl)-2,2-Dimethyl-, [1R-[1Alpha,3Beta(E)]]- (9Ci) CAS NO 77789-74-3
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CAS No.:77789-74-3
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Cyclopropanecarbonyl Chloride, 3-(2-Chloro-2-Fluoroethenyl)-2,2-Dimethyl-, [1R-[1Alpha,3Beta(E)]]- (9Ci) is a high-purity, stereochemically defined organofluorine building block essential for advanced synthetic chemistry. This compound matters because it serves as a critical chiral intermediate for constructing complex molecules with precise three-dimensional architecture, particularly in the development of active pharmaceutical ingredients (APIs). It is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel compounds with targeted biological activity.
Application
- Pharmaceutical Intermediate: A key chiral synthon for the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting central nervous system (CNS) and anti-infective agents.
- Agrochemical Research: Used in the development of advanced pesticides and herbicides, where the cyclopropane and fluorinated vinyl groups contribute to unique biological activity and metabolic stability.
- Chemical Biology Probes: Employed in the creation of labeled compounds and molecular probes for studying enzyme mechanisms and biological pathways due to its reactive acid chloride functionality.
- Material Science Precursor: Acts as a monomer or cross-linking agent in the research of specialty polymers with specific optical or electronic properties.
- Process Chemistry: Utilized in route scouting and scale-up for the efficient, stereoselective introduction of the (1R,3E)-configured cyclopropane fragment into larger molecular frameworks.
Basic Information
| Item | Detail |
|---|---|
| Product Name | Cyclopropanecarbonyl Chloride, 3-(2-Chloro-2-Fluoroethenyl)-2,2-Dimethyl-, [1R-[1Alpha,3Beta(E)]]- (9Ci) |
| CAS No. | 77789-74-3 |
| Molecular Formula | C8H9Cl2FO |
| Molecular Weight | 211.06 g/mol |
| Synonyms | (1R,3E)-3-(2-Chloro-2-fluorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride; (1R,3E)-3-(2-Chloro-2-fluoroethenyl)-2,2-dimethylcyclopropanecarboxylic acid chloride; (1R-trans)-3-[(1Z)-2-Chloro-2-fluorovinyl]-2,2-dimethylcyclopropanecarbonyl chloride; (1R,3E)-3-(2-Chloro-2-fluorovinyl)-2,2-dimethyl-1-cyclopropanecarbonyl chloride; trans-(1R,3E)-3-(2-Chloro-2-fluorovinyl)-2,2-dimethylcyclopropanecarboxylic acid chloride; A chiral cyclopropane acid chloride derivative. |
| EINECS | Contact for details |
Quality Control
Every batch of this high-value intermediate undergoes rigorous analytical testing to ensure identity, purity, and stereochemical integrity, critical for downstream synthetic success. Our quality assurance protocols are designed to meet the exacting standards of GMP/GLP environments for pharmaceutical R&D. A comprehensive Certificate of Analysis (COA) is provided with each shipment, detailing results for assay, chiral purity, and impurity profiles as determined by HPLC, GC, and NMR.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). Due to its highly volatile and hygroscopic nature, containers must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and decomposition. Keep away from strong acids, bases, and oxidizing agents.
Specification
| Item | Specification |
|---|---|
| Appearance | Colorless to pale yellow liquid |
| Identification (IR) | Conforms to structure |
| Assay (HPLC) | ≥ 97.0% |
| Chiral Purity (Chiral HPLC) | ≥ 98.0% ee (1R,3E) |
| Related Substances (HPLC) | Total impurities ≤ 2.0% |
| Any single unknown impurity | ≤ 0.5% |
| Water Content (KF) | ≤ 0.5% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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