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(Z)-2-Methyl-2-Butenoic Acid (3S,3Aβ,5Aβ,9Aα,9Bβ)-Dodecahydro-6β-Hydroxy-3,5A-Dimethyl-9-Methylene-2-Oxonaphtho[1,2-B]Furan-3-Yl Ester CAS NO 50657-06-2
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CAS No.:50657-06-2
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
(Z)-2-Methyl-2-Butenoic Acid (3S,3Aβ,5Aβ,9Aα,9Bβ)-Dodecahydro-6β-Hydroxy-3,5A-Dimethyl-9-Methylene-2-Oxonaphtho[1,2-B]Furan-3-Yl Ester is a high-purity, complex organic ester with a defined stereochemistry, serving as a critical chiral building block and intermediate in advanced synthesis. Its precise molecular architecture makes it invaluable for constructing sophisticated pharmacophores and fine chemicals where stereochemical control is paramount. This compound is primarily sought by research institutions and manufacturers in the pharmaceutical, agrochemical, and specialty chemical industries for developing novel active ingredients and high-value products.
Application
- Pharmaceutical Intermediate: A key chiral synthon in the research and development of novel therapeutic agents, particularly for complex natural product derivatives and targeted small molecules.
- Agrochemical Synthesis: Used in the production of advanced, stereospecific pesticides and herbicides where biological activity is highly dependent on molecular configuration.
- Fine Chemical Manufacturing: Serves as a specialized intermediate for synthesizing flavors, fragrances, and other high-value specialty chemicals requiring specific stereoisomers.
- Academic & Industrial Research: A valuable reference standard and starting material in organic chemistry research focused on stereoselective synthesis and methodology development.
- Process Chemistry Development: Employed in scaling up synthetic routes for complex molecules in pilot plants and commercial manufacturing settings.
Basic Information
| Item | Details |
|---|---|
| Product Name | (Z)-2-Methyl-2-Butenoic Acid (3S,3Aβ,5Aβ,9Aα,9Bβ)-Dodecahydro-6β-Hydroxy-3,5A-Dimethyl-9-Methylene-2-Oxonaphtho[1,2-B]Furan-3-Yl Ester |
| CAS No. | 50657-06-2 |
| Molecular Formula | C22H34O5 |
| Molecular Weight | 378.51 g/mol |
| Synonyms | Angeloyloxy-6β-hydroxy-3,5α-dimethyl-9-methylene-2-oxo-3,3a,4,5,5a,6,7,8,9,9a,9b,10-dodecahydronaphtho[1,2-b]furan-3-yl ester; Tiglic acid ester of a sesquiterpene lactone derivative; (Z)-2-Methylbut-2-enoic acid (3S,3aR,5aR,9aS,9bR)-dodecahydro-6β-hydroxy-3,5a-dimethyl-9-methylene-2-oxonaphtho[1,2-b]furan-3-yl ester; Stereoisomer of a helenalin derivative; Complex sesquiterpene ester; Chiral lactone ester intermediate. |
| EINECS | Contact for details |
Quality Control
Every batch of (Z)-2-Methyl-2-Butenoic Acid (3S,3Aβ,5Aβ,9Aα,9Bβ)-Dodecahydro-6β-Hydroxy-3,5A-Dimethyl-9-Methylene-2-Oxonaphtho[1,2-B]Furan-3-Yl Ester is manufactured and tested under a strict quality management system. We employ advanced analytical techniques including HPLC, GC, NMR, and chiral analysis to ensure identity, purity, and stereochemical integrity. Certificates of Analysis (COA) detailing all relevant specifications are provided with each shipment and are available upon request.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (typically 15-25°C). Keep away from heat, sparks, and open flame. For long-term storage, consider inert gas purging to maintain stability.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to reference spectrum |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC) | ≥ 97.0% |
| Chiral Purity | ≥ 98.0% ee |
| Loss on Drying | ≤ 0.5% |
| Residue on Ignition | ≤ 0.1% |
| Heavy Metals | ≤ 20 ppm |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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