Description

(E)-2-Methyl-2-butenoic acid [(2aR,3aR,6aS,7aR)-2a-vinyl-3α-(1-formylvinyl)-2a,3,3a,5,6,6a,7,7a-octahydro-6-methylene-2,5-dioxo-2H-oxeto[2,3-f]benzofuran-7α-yl] ester is a high-purity, complex organic ester with a defined stereochemistry, serving as a critical advanced intermediate in sophisticated chemical synthesis. Its intricate molecular architecture makes it a valuable building block for the development of novel compounds in research and development. This product is essential for pharmaceutical research and fine chemical manufacturing where precise structural control is paramount.

Application

• Pharmaceutical Intermediate: Key chiral building block for the synthesis of complex active pharmaceutical ingredients (APIs) and investigational new drugs.
• Organic Synthesis Research: Used in academic and industrial R&D for constructing novel molecular frameworks and exploring new reaction pathways.
• Agrochemical Development: Intermediate in the synthesis of advanced, high-performance crop protection agents with specific stereochemical requirements.
• Material Science: Potential precursor for specialty polymers or functional materials requiring specific molecular geometry.
• Asymmetric Catalysis: May serve as a ligand precursor or a substrate in catalytic reactions to induce chirality.

Basic Information

Item	Details
Product Name	(E)-2-Methyl-2-butenoic acid [(2aR,3aR,6aS,7aR)-2a-vinyl-3α-(1-formylvinyl)-2a,3,3a,5,6,6a,7,7a-octahydro-6-methylene-2,5-dioxo-2H-oxeto[2,3-f]benzofuran-7α-yl] ester
CAS No.	79404-33-4
Molecular Formula	C22H24O7
Molecular Weight	400.42 g/mol
Synonyms	(E)-2-Methylcrotonic acid [(2aR,3aR,6aS,7aR)-2a-vinyl-3α-(1-formylvinyl)-2a,3,3a,5,6,6a,7,7a-octahydro-6-methylene-2,5-dioxo-2H-oxeto[2,3-f]benzofuran-7α-yl] ester; Tiglic acid ester derivative; 79404-33-4; (2aR,3aR,6aS,7aR)-7α-[[(2E)-2-Methyl-2-butenoyl]oxy]-2a-vinyl-3α-(1-formylvinyl)-2a,3,3a,5,6,6a,7,7a-octahydro-6-methylene-2,5-dioxo-2H-oxeto[2,3-f]benzofuran; Stereoisomer of a complex oxetobenzofuran ester.
EINECS	Contact for details

Quality Control

Our (E)-2-Methyl-2-butenoic acid ester is manufactured under a strict quality management system. Every batch undergoes comprehensive analytical testing, including HPLC for purity and chiral analysis to confirm stereochemical integrity, ensuring it meets the exacting standards required for advanced synthetic applications. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting identity, purity, and impurity profiles.

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). This compound is easily oxidized; for long-term storage, consider keeping under an inert atmosphere such as nitrogen or argon. Keep away from strong bases and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference
Purity (HPLC)	≥ 97.0%
Chiral Purity	≥ 98.0% ee
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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