5821-04-5

Basic information

• Product Name: 4-bromo-6-{[(2-methoxyphenyl)amino]methylidene}cyclohexa-2,4-dien-1-one
• CAS NO: 5821-04-5
• Molecular Formula: C₁₄H₁₂BrNO₂
• Molecular Weight: 306.1546
• Mol File: 5821-04-5.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 379.4°C at 760 mmHg
• Flash Point: 183.3°C
• Density: 1.607g/cm³
• Vapor Pressure: 5.86E-06mmHg at 25°C
• Refractive Index: 1.741
• CAS DataBase Reference: 4-bromo-6-{[(2-methoxyphenyl)amino]methylidene}cyclohexa-2,4-dien-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4-bromo-6-{[(2-methoxyphenyl)amino]methylidene}cyclohexa-2,4-dien-1-one(5821-04-5)
• EPA Substance Registry System: 4-bromo-6-{[(2-methoxyphenyl)amino]methylidene}cyclohexa-2,4-dien-1-one(5821-04-5)

Safety Data

• Hazardous Substances Data: 5821-04-5(Hazardous Substances Data)

Upstream product

• 545-77-7 3β,12β-dihydroxy-(25R)-5α-spirostane 
• 74131-93-4 (22R, 25R)-spirosol-5-ene-3β,12β-diol 
• 108-24-7 acetic anhydride 
• 10007-76-8 (25R)-5α-spirostan-3β,12β-diol diacetate 
• 74131-95-6 dihydrosolanaviol 
• 467-55-0 hecogenin 

Downstream Products

• 164530-20-5 C₅₀H₇₀O₇Si₂ 
• 5767-80-6 3β-Hydroxy-12β-acetoxy-Δ¹⁶-5α-pregnenon-(20) 

Relevant articles and documents

Application of the Reich Iodoso syn-Elimination for the Preparation of an Intermediate Appropriate for the Synthesis of both Hexacyclic Steroidal Units of Cephalostatin 7.

Hecogenin actetate 5 was converted to an intermediate suitable for construction of both "North" and "South" hexacyclic spiroketals present in cephalostatin 7.The key chemical transformations involved are: (1) the Reich iodoso syn-elimination of iodine 18; (2) Rhodium catalyzed intermolecular oxygen alkylation of secondary neopentyl alcohol 21; and (3) Intramolecular Wadsworth-Emmons reaction to provide the ester precursor of aldehyde 4.

α,β-epoxy vinyl triflates in Pd-catalyzed reactions

(matrix presented) Reactions of steroidal αβ-epoxy vinyl triflates in Pd-catalyzed reactions are described. Oxidative insertion of Pd0 into the C-O bond, giving vinylpalladium 12, is faster than formation of the π-allyl derivative from the vinyl epoxide. Although 12 can be trapped under certain conditions, it eventually rearranges to palladium alkoxide 14, which is in equilibrium with 15 and/or 10.