63569-07-3

Basic information

• Product Name: (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl (2E)-2-methylbut-2-enoate
• Synonyms: 2-Butenoic acid, 2-methyl-, (3S,3aR,4S,4aR,7aR,8R,9aR)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-3,4a,8-trimethyl-2,5-dioxoazuleno(6,5-b)furan-4-yl ester, (2E)-
• CAS NO: 63569-07-3
• Molecular Formula: C₂₀H₂₆O₅
• Molecular Weight: 346.4174
• Mol File: 63569-07-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 494°C at 760 mmHg
• Flash Point: 216.1°C
• Density: 1.17g/cm³
• Vapor Pressure: 6.71E-10mmHg at 25°C
• Refractive Index: 1.535
• CAS DataBase Reference: (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl (2E)-2-methylbut-2-enoate(CAS DataBase Reference)
• NIST Chemistry Reference: (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl (2E)-2-methylbut-2-enoate(63569-07-3)
• EPA Substance Registry System: (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl (2E)-2-methylbut-2-enoate(63569-07-3)

Safety Data

• Hazardous Substances Data: 63569-07-3(Hazardous Substances Data)

Usage

Description

(3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl (2E)-2-methylbut-2-enoate is a complex organic compound with a molecular formula C20H28O4. It is a derivative of azulene, a bicyclic sesquiterpene commonly found in essential oils and used in fragrances and flavors. This particular derivative features a furan ring and a vinyl ester group, which contribute to its unique chemical properties and potential applications.

Uses

Used in Pharmaceutical Industry:
(3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl (2E)-2-methylbut-2-enoate is used as a pharmaceutical compound for its potential medicinal properties. The presence of the furan ring and vinyl ester group may provide unique interactions with biological targets, offering new avenues for drug development.
Used in Cosmetic Industry:
In the cosmetic industry, (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl (2E)-2-methylbut-2-enoate is used as an ingredient for its potential benefits to skin health and fragrance. The azulene derivative may contribute to the development of novel cosmetic products with improved efficacy and sensory attributes.
Used in Agricultural Industry:
(3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl (2E)-2-methylbut-2-enoate is used in the agricultural sector for its potential as a bioactive agent. (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl (2E)-2-methylbut-2-enoate's unique structure may offer new possibilities for pest control, crop protection, or as a component in agricultural formulations to enhance plant health and productivity.

Upstream product

• 6754-13-8 Helenalin 
• 35660-94-7 (E)-2-methylbut-2-enoyl chloride 
• 5989-53-7 plenolin 

Relevant articles and documents

Antitumor agents XXXVI: Structure elucidation of sesquiterpene lactones microhelenins-A, B, and C, microlenin acetate, and plenolin from Helenium microcephalum

The antitumor sesquiterpene lactones microhelenine-A, B, and C, microlenin acetate, and plenolin were isolated from Helenium microcephalum. The structures and stereochemistry of these lactones were determined by physical methods as well as by chemical transformations and correlations. Microlenin acetate appears to be the first novel dimeric sesquiterpene lactone demonstrated to have significant antileukemic activity.