87480-42-0

Basic information

• Product Name: hexacyclo[6.6.1.1~3,6~.1~10,13~.0~2,7~.0~9,14~]heptadeca-4,11-diene (non-preferred name)
• CAS NO: 87480-42-0
• Molecular Formula: C₁₇H₂₀
• Molecular Weight: 224.3407
• Mol File: 87480-42-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 323.6°C at 760 mmHg
• Flash Point: 125.2°C
• Density: 1.16g/cm³
• Vapor Pressure: 0.00049mmHg at 25°C
• Refractive Index: 1.619
• CAS DataBase Reference: hexacyclo[6.6.1.1~3,6~.1~10,13~.0~2,7~.0~9,14~]heptadeca-4,11-diene (non-preferred name)(CAS DataBase Reference)
• NIST Chemistry Reference: hexacyclo[6.6.1.1~3,6~.1~10,13~.0~2,7~.0~9,14~]heptadeca-4,11-diene (non-preferred name)(87480-42-0)
• EPA Substance Registry System: hexacyclo[6.6.1.1~3,6~.1~10,13~.0~2,7~.0~9,14~]heptadeca-4,11-diene (non-preferred name)(87480-42-0)

Safety Data

• Hazardous Substances Data: 87480-42-0(Hazardous Substances Data)

Upstream product

• 121-46-0 bicyclo[2.2.1]hepta-2,5-diene 
• 542-92-7 cyclopenta-1,3-diene 
• 13560-92-4 (1α,4α,4aα,5α,8α,8aα,9β,9aα,10β,10aα)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4:5,8:9,10-trimethanoanthracene 
• 77-73-6 bi(cyclopentadiene) 
• 106913-76-2 C₁₇H₁₉Br 
• 33163-94-9 C₁₂H₁₄O 
• 106931-74-2 C₁₄H₁₈Br₂O₂ 
• 106913-74-0 C₁₇H₂₂O 
• 106913-75-1 C₁₇H₂₁Cl 
• 106913-73-9 C₁₇H₂₀O 
• 106913-72-8 (1α,4α,4aβ,5β,8β,8aβ)-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-one ethylene acetal 
• 106913-71-7 C₁₉H₁₈Cl₆O₂ 
• 106913-70-6 C₁₄H₁₈O₂ 
• 106913-70-6 (1α,4α,4aβ,5β,8α,8aα)-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-one ethylene acetal 

Relevant articles and documents

METHOD FOR PRODUCING ALICYCLIC TETRACARBOXYLIC DIANHYDRIDE

The present invention relates to a method for producing an acid dianhydride in which at least one of the following two operations (A) and (B) is performed when reacting an olefin compound with carbon monoxide. (A) After mixing a palladium compound, a copper compound and an alcohol compound in a reaction vessel, the substitution operation (C-2) described below and the stirring operation (C-1) described below are performed in that order, and the resulting product is mixed with the olefin compound. (B) After mixing a palladium compound, a copper compound, an alcohol compound and an orthoester compound in a reaction vessel, the substitution operation (C-2) described below is performed, and the resulting product is mixed with the olefin compound. (C-1) Stirring is performed under a carbon monoxide atmosphere. (C-2) After reducing the pressure inside the reaction vessel, an operation of introducingcarbon monoxide gas is performed at least once.

Crystal Structures and Photoelectron Spectra of Some Trimethanoanthracenes, Tetramethanonaphthacenes, and Pentamethanopentacenes. Experimental Evidence for Laticyclic Hyperconjugation

Photoelectron (p.e.) spectra of the series of dienes (4), (10), (11a)-(13a), and crystal structures for the dodecachlorodienes (11b)-(13b) are reported.The spectra revealed large ?-splitting energies of 0.32 and 0.52 eV for (4) and (11a) respectively.The value of (4) is attributed to the presence of orbital interactions through six ? bonds (OIT-6-B), and this, taken with the p.e. data for the dienes (1)-(3), provides convincing evidence for the long-range nature of OIT-n-B.The larger ?-splitting energy of 0.52 eV observed for (11a), compared with (4), has been explained in terms of the presence of two reinforcing orbital interactions: OIT-6-B and a new variant of hyperconjugation, called laticyclic hyperconjugation, in which the ? MOs of the double bonds mix the (Ψ)? MO of the central CH2 bridge of (11a).The surprisingly large ?-splitting energy of 0.29 eV observed for (12a) is also due largely to laticyclic hyperconjugation involving both pairs of symmetry adapted(Ψ)? MOs of the CH2 bridges.No ?-splitting energy could be detected in the p.e. spectrum of (13a).From the crystal structures of (11b)-(13b), it was found that the distance between neighbouring CH2 groups, and between a double bond and its closest CH2 neighbour is about 3 Angstroem in all three compounds.HF/STO-3G calculations on model ethene...(CH4)n...ethene complexes suggest that laticyclic interactions, like OIT-n-B, are very long-range processes, the predicted ?-splitting energies amounting to ca. 10-3 eV for two double bonds separated by ca. 33 Angstroem.The relevance of these orbital interactions to biological electron-transfer processes is briefly discussed.