3123-93-1

Basic information

• Product Name: TRANS-2,2-DIMETHYL-3-HEXENE
• Synonyms: TRANS-2,2-DIMETHYL-3-HEXENE;(3E)-2,2-Dimethyl-3-hexene;2,2-dimethyl-3-hexen;2,2-Dimethyl-3-hexene;2,2-Dimethyl-3-hexene trans;2,2-dimethylhex-3-ene;3-Hexene, 2,2-dimethyl-;3-hexene,2,2-dimethyl-
• CAS NO: 3123-93-1
• Molecular Formula: C₈H₁₆
• Molecular Weight: 112.21
• EINECS: 221-504-9
• Mol File: 3123-93-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 105.5°Cat760mmHg
• Flash Point: 8.4°C
• Appearance: /
• Density: 0.727g/cm³
• Vapor Pressure: 34.3mmHg at 25°C
• Refractive Index: 1.421
• CAS DataBase Reference: TRANS-2,2-DIMETHYL-3-HEXENE(CAS DataBase Reference)
• NIST Chemistry Reference: TRANS-2,2-DIMETHYL-3-HEXENE(3123-93-1)
• EPA Substance Registry System: TRANS-2,2-DIMETHYL-3-HEXENE(3123-93-1)

Safety Data

• Hazardous Substances Data: 3123-93-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+

Upstream product

• 558-37-2 tert-butylethylene 
• 64-17-5 ethanol 

Relevant articles and documents

Selective catalytic C-H alkylation of alkenes with alcohols

Alkenes and alcohols are among the most abundant and commonly used organic feedstock in industrial processes. We report a selective catalytic alkylation reaction of alkenes with alcohols that forms a carbon-carbon bond between vinyl carbon-hydrogen (C-H) and carbon-hydroxy centers with the concomitant loss of water. The cationic ruthenium complex [(C6H6)(PCy 3)(CO)RuH]+BF4- (Cy, cyclohexyl) catalyzes the alkylation in solution within 2 to 8 hours at temperatures ranging from 75° to 110°C and tolerates a broad range of substrate functionality, including amines and carbonyls. Preliminary mechanistic studies are inconsistent with Friedel-Crafts-type electrophilic activation of the alcohols, suggesting instead a vinyl C-H activation pathway with opposite electronic polarization.