38069-03-3

Basic information

• Product Name: Benzene, 1-[1-(2,4-cyclopentadien-1-ylidene)ethyl]-4-methoxy-
• CAS NO: 38069-03-3
• Molecular Formula: C14H14O
• Molecular Weight: 198.265
• Mol File: 38069-03-3.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: Benzene, 1-[1-(2,4-cyclopentadien-1-ylidene)ethyl]-4-methoxy-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-[1-(2,4-cyclopentadien-1-ylidene)ethyl]-4-methoxy-(38069-03-3)
• EPA Substance Registry System: Benzene, 1-[1-(2,4-cyclopentadien-1-ylidene)ethyl]-4-methoxy-(38069-03-3)

Safety Data

• Hazardous Substances Data: 38069-03-3(Hazardous Substances Data)

Upstream product

• 542-92-7 cyclopenta-1,3-diene 
• 100-06-1 1-(4-methoxyphenyl)ethanone 
• 123-75-1 pyrrolidine 
• 75-16-1 methylmagnesium bromide 

Downstream Products

• 544696-83-5 1-cyclopentadienyltricarbonylrhenium-1-(4'-methoxyphenyl)ethane 
• 544696-80-2 1-cyclopentadienyltricarbonylrhenium-1-(4'-methoxyphenyl)ethene 

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Conformational Effects on High-Spin Organic Molecules

The ability of m-phenylene to ferromagnetically couple spin-containing substituents that are substantially twisted out of conjugation is investigated.The "bis(TMM)" strategy is employed, in which two triplet TMM biradicals are linked through m-phenylene to produce relatively stable, organic tetraradicals that are characterized by EPR spectroscopy.Under conditions of moderate twisting (4), ferromagnetic coupling is seen, and the tetraradical has a quintet ground state.Severely twisting both TMM as in 13 disrupts spin communication, and two noninteracting triplets are produced.This is in contrast to other highly twisted m-phenylene derivatives, in which antiferromagnetic coupling has been observed.Surprisingly, severely twisting only one TMM (14) still produces ferromagnetic coupling and a quintet ground state through a spin polarization mechanism analogous to that proposed for 90 deg C twisted ethylene.Several ring-constrained TMMs (17-19) are investigated as models for more nearly planar systems.