121958-18-7

Basic information

• Product Name: (4bS,5aS,8aR)-6,7,8,8a,9,10-hexahydro-5aH-phenanthro[4b,5-b]oxirene
• Synonyms: 2H-Phenanthro[4,4a-b]oxirene, 1,3,3a,4,5,10a-hexahydro-, (3aα,9bS*,10aβ)- (9CI)
• CAS NO: 121958-18-7
• Molecular Formula: C₁₄H₁₆O
• Molecular Weight: 200.2762
• Mol File: 121958-18-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 324.7°C at 760 mmHg
• Flash Point: 145.2°C
• Density: 1.16g/cm³
• Vapor Pressure: 0.000456mmHg at 25°C
• Refractive Index: 1.604
• CAS DataBase Reference: (4bS,5aS,8aR)-6,7,8,8a,9,10-hexahydro-5aH-phenanthro[4b,5-b]oxirene(CAS DataBase Reference)
• NIST Chemistry Reference: (4bS,5aS,8aR)-6,7,8,8a,9,10-hexahydro-5aH-phenanthro[4b,5-b]oxirene(121958-18-7)
• EPA Substance Registry System: (4bS,5aS,8aR)-6,7,8,8a,9,10-hexahydro-5aH-phenanthro[4b,5-b]oxirene(121958-18-7)

Safety Data

• Hazardous Substances Data: 121958-18-7(Hazardous Substances Data)

Upstream product

• 121865-84-7 (4α,4aβ,10aα)-t-4-bromo-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthren-r-4a-ol 
• 529-34-0 3,4-dihydronaphthalene-1(2H)-one 
• 121865-82-5 2-(4-chlorobutyl)-2-(methoxycarbonyl)-1-tetralone 
• 121865-83-6 2-(4-bromobutyl)-1-tetralone 
• 6742-26-3 2-ethoxycarbonyl-1-tetralone 
• 62690-96-4 1,2,3,9,10,10a-hexahydrophenanthrene 

Relevant articles and documents

Synthesis and Reactivity of Benzylic Epoxides Derived from 1,2,3,9,10,10a-Hexahydrophenanthrene. Search for a Unified Mechanism for the Ring Opening of 2-Aryloxiranes

The diastereoisomeric benzylic epoxides 4a and 4b were synthesized, and their ring-opening reactions under acidic conditions were compared with those of the known epoxides 2 and 3.The chemical behavior of 4 more nearly resembles that of 3, thus suggesting that the differences in chemical behavior between 2 and 3 could be ascribed to the different conformational rigidity of the aryl in these systems.The ring opening of 4 forms significant amounts of unsaturated alcohol and ketone in addition to the diastereoisomeric diols.The results obtained in the present study are difficult to explain by means of either of the two mechanistic schemes suggested for 2-aryloxiranes.