471-71-6

Basic information

• Product Name: (4bα,8aβ,10aα)-7-[(E)-2-[2-(Dimethylamino)ethoxy]-2-oxoethylidene]tetradecahydro-1α,4aβ,8α-trimethyl-9-oxo-1β-phenanthrenecarboxylic acid methyl ester
• Synonyms: (4bα,8aβ,10aα)-7-[(E)-2-[2-(Dimethylamino)ethoxy]-2-oxoethylidene]tetradecahydro-1α,4aβ,8α-trimethyl-9-oxo-1β-phenanthrenecarboxylic acid methyl ester;Cassamine
• CAS NO: 471-71-6
• Molecular Formula: C25H39NO5
• Molecular Weight: 433.585
• Mol File: 471-71-6.mol
• Article Data: 0

Chemical Properties

• Melting Point: 86-87°
• Boiling Point: 521.5°Cat760mmHg
• Flash Point: 269.2°C
• Appearance: /
• Density: 1.107g/cm³
• Refractive Index: 1.527
• CAS DataBase Reference: (4bα,8aβ,10aα)-7-[(E)-2-[2-(Dimethylamino)ethoxy]-2-oxoethylidene]tetradecahydro-1α,4aβ,8α-trimethyl-9-oxo-1β-phenanthrenecarboxylic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: (4bα,8aβ,10aα)-7-[(E)-2-[2-(Dimethylamino)ethoxy]-2-oxoethylidene]tetradecahydro-1α,4aβ,8α-trimethyl-9-oxo-1β-phenanthrenecarboxylic acid methyl ester(471-71-6)
• EPA Substance Registry System: (4bα,8aβ,10aα)-7-[(E)-2-[2-(Dimethylamino)ethoxy]-2-oxoethylidene]tetradecahydro-1α,4aβ,8α-trimethyl-9-oxo-1β-phenanthrenecarboxylic acid methyl ester(471-71-6)

Safety Data

• Hazardous Substances Data: 471-71-6(Hazardous Substances Data)

Usage

Description

(4bα,8aβ,10aα)-7-[(E)-2-[2-(Dimethylamino)ethoxy]-2-oxoethylidene]tetradecahydro-1α,4aβ,8α-trimethyl-9-oxo-1β-phenanthrenecarboxylic acid methyl ester is a complex organic molecule with a phenanthrene core, featuring a methyl ester functional group and a dimethylaminoethoxy group. The presence of multiple stereocenters, denoted by the alpha (α) and beta (β) symbols, contributes to its intricate three-dimensional structure. This highly specific chemical structure suggests potential applications in various fields, including organic synthesis and pharmacology.

Uses

Used in Pharmaceutical Industry:
(4bα,8aβ,10aα)-7-[(E)-2-[2-(Dimethylamino)ethoxy]-2-oxoethylidene]tetradecahydro-1α,4aβ,8α-trimethyl-9-oxo-1β-phenanthrenecarboxylic acid methyl ester is used as a potential pharmaceutical compound for its unique chemical structure and the presence of a phenanthrene core, which may offer novel therapeutic properties and interactions with biological targets.
Used in Organic Synthesis:
In the field of organic synthesis, (4bα,8aβ,10aα)-7-[(E)-2-[2-(Dimethylamino)ethoxy]-2-oxoethylidene]tetradecahydro-1α,4aβ,8α-trimethyl-9-oxo-1β-phenanthrenecarboxylic acid methyl ester can be utilized as a starting material or intermediate for the synthesis of other complex organic molecules, taking advantage of its unique structural features and functional groups.
Used in Chemical Research:
(4bα,8aβ,10aα)-7-[(E)-2-[2-(Dimethylamino)ethoxy]-2-oxoethylidene]tetradecahydro-1α,4aβ,8α-trimethyl-9-oxo-1β-phenanthrenecarboxylic acid methyl ester can also be employed in chemical research as a model system to study the effects of stereochemistry on molecular properties and reactivity. The presence of multiple stereocenters and the phenanthrene core make it an interesting subject for investigating stereoselective reactions and understanding the role of stereochemistry in molecular recognition and biological activity.
Used in Material Science:
The unique structural features of (4bα,8aβ,10aα)-7-[(E)-2-[2-(Dimethylamino)ethoxy]-2-oxoethylidene]tetradecahydro-1α,4aβ,8α-trimethyl-9-oxo-1β-phenanthrenecarboxylic acid methyl ester may also find applications in material science, where its properties could be harnessed to develop new materials with specific characteristics, such as optical, electronic, or mechanical properties.

InChI:InChI=1/C25H39NO5/c1-16-17(14-21(28)31-13-12-26(4)5)8-9-18-22(16)19(27)15-20-24(18,2)10-7-11-25(20,3)23(29)30-6/h14,16,18,20,22H,7-13,15H2,1-6H3/b17-14-/t16-,18-,20+,22-,24+,25-/m0/s1

Downstream Products

• 57289-51-7 14α-methyl-7-oxo-15-nor-pimar-13(16)c-ene-17,19-dioic acid dimethyl ester 
• 471-70-5 cassamic acid