40467-04-7

Basic information

• Product Name: 2,5,5-Trimethyl-2-hexene
• Synonyms: 2,5,5-Trimethyl-2-hexene
• CAS NO: 40467-04-7
• Molecular Formula: C₉H₁₈
• Molecular Weight: 126.24
• Mol File: 40467-04-7.mol

Chemical Properties

• Boiling Point: 134.1°C at 760 mmHg
• Flash Point: 16.8°C
• Appearance: /
• Density: 0.74g/cm³
• Vapor Pressure: 10.1mmHg at 25°C
• Refractive Index: 1.424
• CAS DataBase Reference: 2,5,5-Trimethyl-2-hexene(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5,5-Trimethyl-2-hexene(40467-04-7)
• EPA Substance Registry System: 2,5,5-Trimethyl-2-hexene(40467-04-7)

Safety Data

• Hazardous Substances Data: 40467-04-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H18/c1-8(2)6-7-9(3,4)5/h6H,7H2,1-5H3

Upstream product

• 677-22-5 tert-butylmagnesium chloride 
• 870-63-3 prenyl bromide 
• 72863-20-8 α,α-Dimethylallyl phenyl sulfone 
• 38442-51-2 tert-butylmercury chloride 
• 34043-60-2 α,α-dimethylallyl phenyl sulphide 
• 115-11-7 isobutene 

Downstream Products

• 1071-81-4 2,2,5,5-tetramethylhexane 
• 3522-94-9 2,2,5-trimethylhexane 

Relevant articles and documents

Allylic and Propargylic Substitution Reactions Involving Radicals Generated from Alkylmercury Halides

Addition of alkyl radicals to allyl or propargyl derivatives forms adduct radicals which can undergo β-elimination with substituents such as halogen, PhS, PhSO2, Bu3Sn, or HgCl to form the alkyl-substituted propene or allene and an eliminated radical which regenerates the alkyl radical by displacement from an alkylmercurial.With β-oxy substituents, such as O2CR, OP(O)(OEt)2, O3SAr, OPh, OSiMe3, or OH, the adduct radicals can displace the alkyl radical from the alkylmercurial to yield β-substituted alkylmercurials which spontaneously, or in the presence of nucleophiles, undergo an elimination reaction to yield the alkene or allene.Relative reactivities toward tert-butyl radical attack, such as k(allyl chloride)/k(propargyl chloride) = ca. 10, have been determined.A similar relative reactivity is observed in reaction with (t-Bu)2CuLi implicating attack by free tert-butyl radicals.With allyl or propargyl iodide, radical attack leads to iodine atom abstraction.Reaction of propargyl iodide with t-BuHgCl/hν, (t-Bu)2CuLi, or (t-Bu)3ZnLi leads to a mixture of hydrocarbons in which tert-butylallene is present in only trace amounts.Benzene is an important reaction product which seems to be formed via the cyclodimerization of two "propargyl" (C3H3.) radicals.

REGIOSELECTIVE CARBON-CARBON BOND FORMATION BY REACTION OF Zr-ISOPRENE COMPLEX WITH ALKENES, ALKYNES AND ALKADIENES

The reaction of ZrCp2(isoprene) with 1-butene, 2-butene, 1-pentene and 2-pentene proceeds with highly regioselective carbon-carbon bond formation between C2-carbon of alkenes and C4-carbon of isoprene unit.In the presence of excess isoprene, the Zr-complex showed catalysis for selective tail-to-tail linear dimerization of isoprene.The addition of diphenylacetylene resulted in the release of isoprene to form a zirconacyclo-2,4-pentadiene.