1184-59-4

Basic information

• Product Name: PROPENE-2-D1
• Synonyms: PROPENE-2-D1;Propene-2-D1 (gas)
• CAS NO: 1184-59-4
• Molecular Formula: C₃H₆
• Molecular Weight: 43.09
• Mol File: 1184-59-4.mol
• Article Data: 11

Chemical Properties

• Appearance: /
• CAS DataBase Reference: PROPENE-2-D1(CAS DataBase Reference)
• NIST Chemistry Reference: PROPENE-2-D1(1184-59-4)
• EPA Substance Registry System: PROPENE-2-D1(1184-59-4)

Safety Data

• Hazardous Substances Data: 1184-59-4(Hazardous Substances Data)

Upstream product

• 187737-37-7 propene 
• 1517-52-8 hexadeuteriopropene 
• 71-55-6 1,1,1-trichloroethane 
• 25493-15-6 1-iodopropane-2,2-d₂ 
• 74-88-4 methyl iodide 
• 24300-67-2 5,5-dideuterio-hexan-2-one 
• 76936-98-6 deuteriocyclopropane 

Downstream Products

• 115731-75-4 ((Ph3P)2Ir(2)H(π-allyl))3PW12O40 
• 115731-73-2 ((Ph3P)2Ir(H)(π-allyl))3PW12O40 
• 115731-77-6 ((Ph₃P)2Ir(D)H)3PW₁₂O₄₀ 
• 1117-90-4 (Z)-propene-1-d1 
• 1117-91-5 trans-propene-d1 
• 1117-89-1 3-deuteriopropene 

Relevant articles and documents

Low-Temperature Decomposition of Alkyl Iodides on Ni(100) Surfaces: Evidence for the Formation of Alkyl Free Radicals

Previous studies have shown that alkyl iodides dissociate on metal substrates around 200 K to produce iodine atoms alkyl moieties on the surface; here we report a new low-temperature decomposition pathway for those compounds on Ni(100) that leads to the formation of a close to 1:1 alkane-alkene mixture below 150 K.This latter reactions is proposed to occur via a mechanism where alkyl iodide dissociation results in the direct formation of free radicals.A combination of thermal desorption experiments with isotope labeling and hydrogen coadsorption was used to establish the importance of the nickel surface in the overall process and to rule out either surface disproportionation or gas-phase reactions as the source of the low-temperature products.Evidence was also obtained for a possible rearrangement of the adsorbed alkyl iodide molecules from a fat geometry into an upright configuration at high coverages, a change that would explain the ease with which the radicals formed after C-I bond scission are released into the gas phase instead of being left on the surface as adsorbed alkyl surface moieties.A comparison with other systems is also presented.

Deuterium kinetic isotope effects on the thermal isomerizations of deuteriocyclopropane to deuterium-labeled propenes

The gas-phase thermal isomerizations of deuteriocyclopropane to the four possible monodeuterium-labeled propenes have been followed at 435°C. The observed distribution of products provides estimates of two deuterium kinetic isotope effects, the secondary ksh/ks D for the carbon-carbon bond cleavage leading to trimethylene diradical reactive intermediates and the primary kp h/kpD ratio for a [1,2] shift of a hydrogen or deuterium leading from the diradical to a labeled propene. The values determined are ksD/ksD = 1.09 ± 0.03 and kpH/kpD = 1.55 ± 0.06. The experimental ksD/ksD value found agrees well with some, but not all, earlier calculated values and conjectures.

Mechanism of Propene-Deuterium Addition and Exchange Reaction over Silica-Supported ZrO2

The mechanism of propene-deuterium reaction over unsupported and silica-supported ZrO2 catalysts was studied with kinetic investigation as well as microwave spectroscopic analysis of monodeuteriopropene. Unsupported ZrO2 exhibited the identical catalytic behavior for C3H6-D2 reaction with other oxide catalysts previously reported: Only propane-d2 was selectively formed in the addition process, with no hydrogen exchange in propene. By supporting on silica, the rate of C3H6-D2 reaction increased considerably, with the decrease of activation energy. Hydrogen exchange in propene proceeded simultaneously with addition via associative mechanism through propyl and isopropyl intermediates. Small particles of ZrO2 were proposed as active sites of this characteristic catalytic behavior.