714-53-4

Basic information

• Product Name: dimethyl tetracyclo[3.2.0.0~2,7~.0~4,6~]heptane-1,5-dicarboxylate
• CAS NO: 714-53-4
• Molecular Formula: C₁₁H₁₂O₄
• Molecular Weight: 208.2106
• Mol File: 714-53-4.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 269.1°C at 760 mmHg
• Flash Point: 131.5°C
• Density: 1.577g/cm³
• Vapor Pressure: 0.0074mmHg at 25°C
• Refractive Index: 1.649
• CAS DataBase Reference: dimethyl tetracyclo[3.2.0.0~2,7~.0~4,6~]heptane-1,5-dicarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: dimethyl tetracyclo[3.2.0.0~2,7~.0~4,6~]heptane-1,5-dicarboxylate(714-53-4)
• EPA Substance Registry System: dimethyl tetracyclo[3.2.0.0~2,7~.0~4,6~]heptane-1,5-dicarboxylate(714-53-4)

Safety Data

• Hazardous Substances Data: 714-53-4(Hazardous Substances Data)

Upstream product

• 30715-39-0 tetracyclo[3.2.0.0^2,7.0^4,6]heptane-1,5-dicarboxylic acid 
• 77-78-1 dimethyl sulfate 
• 947-57-9 dimethyl bicyclo[2.2.1]hept-2,5-diene-2,3-dicarboxylate 

Relevant articles and documents

SINGLET SENSITIZATION OF THE NORBORNADIENE REARRANGEMENT: EXCITATION ENERGY CASCADE POTENTIALLY INVOLVING TRIPLET EXCIPLEXES.

Valence isomerization of dimethyl bicyclohepta-2,5-diene-2,3-dicarboxylate is induced on quenching the fluorescence of a variety of sensitizers.Quantum efficiencies for rearrangement depend on the triplet energy of the sensitizer.

Effects of photophysical properties of 1,4-cyclohexadiene derivatives on their [2 + 2] photocycloaddition reactivities: Experimental and theoretical studies

To study the relationship between the [2 + 2] photocycloaddition reactivities of 1,4-cyclohexadiene derivatives (1,4?CHDs) and their structures, photophysical properties of a series of 1,4?CHDs were studied experimentally and by performing theoretical calculations. Specifically, UV–vis absorption spectra of these compounds in diluted solutions were acquired and the theoretical calculations were performed at the density functional theory (DFT) level. Their UV–vis absorption maxima were found to be related to the substituents on the 1,4-cyclohexadiene ring. To describe the [2 + 2] photocycloaddition reactivities of the 1,4?CHDs, time-dependent density functional theory (TDDFT) was used to optimize their ground- and excited-state structures, and their electronic excitation energies were calculated at the M062X/def-TZVP level. Frontier molecular orbitals and electron-hole distribution analyses were used to illustrate the electron transition modes of the 1,4?CHDs. The differences between the ground- and excited-state structures of the different 1,4?CHDs were characterized by carrying out a root-mean-square-deviation (RMSD) analysis. The results showed that the photophysical properties of 1,4?CHDs are meaningful for explaining their [2 + 2] photocycloaddition reactivities.

Charge-Transfer Sensitization of the Valence Photoisomerisation of Norbornadiene to Quadricyclene by an Orthometalated Transition-Metal Complex

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