Description

(E)-2-Hydroxymethyl-2-butenoic acid [(1aR,3S,4Z,5aR,8aR,9R,10aR)-3-acetoxy-1a,2,3,5a,7,8,8a,9,10,10a-decahydro-4,10a-dimethyl-8-methylene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan-9-yl] ester is a high-purity, complex organic ester derivative of a sesquiterpene lactone core structure. This compound is valued for its specific stereochemistry and functional groups, which make it a critical intermediate in advanced organic synthesis. It is primarily sought by pharmaceutical research and fine chemical sectors for the development of novel active compounds and complex molecular architectures.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of complex drug candidates and active pharmaceutical ingredients (APIs).
• Advanced Organic Synthesis: Used in research and development for constructing stereochemically defined, polycyclic molecular frameworks.
• Medicinal Chemistry Research: Serves as a precursor or model compound in structure-activity relationship (SAR) studies and lead optimization.
• Biochemical Probe Development: Potential use in creating specialized tools for studying biological pathways and enzyme interactions.
• Fine Chemical Production: Intermediate in the multi-step synthesis of high-value specialty chemicals and flavors/fragrances.

Basic Information

Product Name	(E)-2-Hydroxymethyl-2-butenoic acid [(1aR,3S,4Z,5aR,8aR,9R,10aR)-3-acetoxy-1a,2,3,5a,7,8,8a,9,10,10a-decahydro-4,10a-dimethyl-8-methylene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan-9-yl] ester
CAS No.	72947-94-5
Molecular Formula	C22H28O8
Molecular Weight	420.46 g/mol
Synonyms	Alantolactone 9-ester with (E)-2-(hydroxymethyl)-2-butenoic acid; Helenalin 9-[(E)-2-(hydroxymethyl)-2-butenoate] 3-acetate; (1aR,3S,4Z,5aR,8aR,9R,10aR)-9-[[(2E)-2-(Hydroxymethyl)-2-butenoyl]oxy]-3-(acetyloxy)-1a,2,3,5a,7,8,8a,9,10,10a-decahydro-4,10a-dimethyl-8-methylene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan; Helenalin derivative ester; Sesquiterpene lactone ester; 72947-94-5
EINECS	Contact for details

Quality Control

Our production of (E)-2-Hydroxymethyl-2-butenoic acid ester (CAS 72947-94-5) adheres to stringent quality protocols suitable for research and pharmaceutical intermediate applications. Each batch is characterized and tested to ensure identity, purity, and consistency. Comprehensive analytical methods including HPLC, NMR, and MS are employed. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting critical specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (15-25°C). The compound is light-sensitive and should be handled and stored away from direct light exposure. Keep away from strong acids and incompatible organic solvents.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC)	Conforms to reference standard
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

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