87969-80-0

Basic information

• Product Name: Benzene, 1,2,4-trioctyl-
• CAS NO: 87969-80-0
• Molecular Formula: C30H54
• Molecular Weight: 414.759
• Mol File: 87969-80-0.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: Benzene, 1,2,4-trioctyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1,2,4-trioctyl-(87969-80-0)
• EPA Substance Registry System: Benzene, 1,2,4-trioctyl-(87969-80-0)

Safety Data

• Hazardous Substances Data: 87969-80-0(Hazardous Substances Data)

Upstream product

• 17049-49-9 octylmagnesium bromide 
• 120-82-1 1,2,4-Trichlorobenzene 
• 764-93-2 1-decyne 
• 15226-74-1 dicobalt octacarbonyl 
• 201230-82-2 carbon monoxide 

Relevant articles and documents

H-BPin/KOtBu Promoted Activation of Cobalt Salt to a Heterotopic Catalyst for Highly Selective Cyclotrimerization of Alkynes

A mixture of HBPin with KOtBu was found to activate cobalt salt to form a heterotopic cobalt species that is highly active for catalytic intermolecular trimerization of alkynes. This protocol affords 1,2,4-regioisomers in good yields with high regioselectivities under mild conditions. These salient features, together with the operational simplicity and high efficiency, as well as obviating the use of any costly and/or air sensitive ligands, renders the protocol promising for practical applications.

Silica-supported tungsten carbynes (≡SiO)xW(≡CH)(Me)y (x = 1, y = 2; X = 2, y = 1): New efficient catalysts for alkyne cyclotrimerization

The activity of silica-supported tungsten carbyne complexes (≡SiO)xW(≡CH)(Me)y (x = 1, y = 2; x = 2, y = 1) toward alkynes is reported. We found that they are efficient precatalysts for terminal alkyne cyclotrimerization with high TONs. We also demonstrate that this catalyst species is active for alkyne cyclotrimerization without the formation of significant alkyne metathesis products. Additional DFT calculations highlight the importance of the W coordination sphere in supporting this experimental behavior.

Highly regioselective [2+2+2] cycloaddition of terminal alkynes catalyzed by titanium complexes of p-tert-butylthiacalix[4]arene

Mono- and dinuclear titanium complexes of p-tert-butylthiacalix[4]arene were applied as a catalyst for [2+2+2] cycloaddition of terminal alkynes. They showed high catalytic activity and regioselectivity toward 1,3,5-trisubstituted benzenes over 1,2,4-trisubstituted isomers. The regioselectivity was rationalized in terms of the steric effect of the thiacalixarene skeleton and the coordination of the bridging sulfur atom to the titanium center.