57015-38-0

Basic information

• Product Name: 1,3-Cyclohexadiene, 5-ethynyl-
• CAS NO: 57015-38-0
• Molecular Formula: C8H8
• Molecular Weight: 104.152
• Mol File: 57015-38-0.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1,3-Cyclohexadiene, 5-ethynyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Cyclohexadiene, 5-ethynyl-(57015-38-0)
• EPA Substance Registry System: 1,3-Cyclohexadiene, 5-ethynyl-(57015-38-0)

Safety Data

• Hazardous Substances Data: 57015-38-0(Hazardous Substances Data)

Upstream product

• 80976-41-6 bicyclo<3.2.1>octa-3,6-dien-2-one tosylhydrazone 
• 80976-42-7 bicyclo<3.2.1>octa-3,6-dien-2-one tosylhydrazone lithium salt 

Downstream Products

• 57015-40-4 5-Cyclohexa-2,4-dienyl-3-(2,3,5,6-tetramethyl-phenyl)-isoxazole 
• 2904-75-8 5-phenyl-3-(2,3,5,6-tetramethyl-phenyl)-isoxazole 
• 81130-71-4 10-Ethinyl-4-phenyl-2,4,6-triazatricyclo<5.2.2.0^2,6>undec-8-en-3,5-dion 

Relevant articles and documents

Einige Reaktionen des 8,8-Dibromtetracyclo2,4.03,5>octans

The title compound 2, easily prepared by addition of dibromocarbene to homobenzvalene (7), forms 5-ethinyl-1,3-cyclohexadiene (9) on treatment with methyllithium.Its structure was proved through the additions to 4-phenyl-1,2,4-triazolinedione and 2,3,5,6-tetramethylbenzonitrile oxide, leading to 10 and 12 respectively. 2H and 12C labeled 2 were used to determine the reorganization of the carbon atoms.The results support the proposed reaction mechanism.On heating of 2 the dibromocyclopropane moiety remains intact and dibromo-trans-bishomobenzene (20) is formed, with boron trifluoride-ether 2 rearranges to 20 already at room temperature.Sodium in liquid ammonia debrominates 2 as well as 20 to produce the known parent hydrocarbons 8 and 21 respectively.