61692-95-3

Basic information

• Product Name: Benzene, 1-methyl-4-(3-phenyl-1,2-propadienyl)-
• CAS NO: 61692-95-3
• Molecular Formula: C16H14
• Molecular Weight: 206.287
• Mol File: 61692-95-3.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: Benzene, 1-methyl-4-(3-phenyl-1,2-propadienyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-methyl-4-(3-phenyl-1,2-propadienyl)-(61692-95-3)
• EPA Substance Registry System: Benzene, 1-methyl-4-(3-phenyl-1,2-propadienyl)-(61692-95-3)

Safety Data

• Hazardous Substances Data: 61692-95-3(Hazardous Substances Data)

Upstream product

• 100-52-7 benzaldehyde 
• 4187-87-5 1-Phenyl-2-propyn-1-ol 
• 108-88-3 toluene 
• 89530-34-7 1-phenyl-3-trimethylsilylprop-2-yn-1-ol 
• 104-81-4 4-Methylbenzyl bromide 
• 6738-06-3 phenylethynylmagnesium bromide 
• 143958-96-7 ethyl N-((E)-2-phenyl-3-p-tolylcyclopropyl)carbamate 
• 24601-55-6 ethyl trans-2-(4-methylphenyl)-3-phenylcyclopropanecarboxylate 
• 21760-13-4 (E)-2-phenyl-3-p-tolylcyclopropanecarboxylic acid 
• 104-87-0 4-methyl-benzaldehyde 
• 1100-88-5 benzyltriphenylphosphonium chloride 
• 4714-21-0 E-1-methyl-4-styryl-benzene 
• 3883-13-4 2,2,2-trichloroethylbenzene 
• 143959-05-1 ethyl N-nitroso-N-((E)-2-phenyl-3-p-tolylcyclopropyl)carbamate 

Relevant articles and documents

Synthesis of allenes via gold-catalyzed intermolecular reaction of propargylic alcohols and aromatic compounds

Functionalized allenes are efficiently synthesized in moderate to high yield from gold-catalyzed intermolecular reaction of propargylic alcohols and aromatic compounds. The user-friendly process could be conducted under mild reaction conditions with easily accessible starting materials.

Chromium-carbyne complexes: Intermediates for organic synthesis

(Chemical Equation Presented) On the same route: Chromium-carbyne complexes are readily prepared by treatment of 1,1,1-trichloromethyl reagents with chromium(II) chloride. They serve as intermediates in the selective formation of a wide variety of products, such as alkynes, alkenes, β-hydroxy ketones, aldehydes, allylic alcohols, and allenes (see scheme, E = electrophile).

Electron Demand in the Transition State of the Cyclopropylidene to Allene Ring Opening

The electronic structure of the transition state for the cyclopropylidene to allene conversion has been probed.The methodology involved the relative rates of ring opening vs trapping by MeOH for a series of variously substituted 2,3-diarylcyclopropylidenes.With the assumption that the rate of trapping was unaffected by substituents, a Hammett correlation was constructed.The negative value (-0.72) for ρ indicated that the carbenic center attracts electron density in the ring-opening transition state, much like the cyclopropyl cation to allyl cation transition state.Temperature-dependent studies showed that the observed preference for ring opening was driven by entropy factors.Also, using reasonable estimates for the close to diffusion-controlled trapping activation enthalpies, the derived enthalpies for ring opening were in close agreement with the best theoretical values.