98230-14-9

Basic information

• Product Name: 1,5,2,4-Ethanediylidenecyclopenta(cd)pentalene-3,6(1H,4H)-dione, hexah ydro-
• Synonyms: 1,5,2,4-Ethanediylidenecyclopenta(cd)pentalene-3,6(1H,4H)-dione, hexah ydro-
• CAS NO: 98230-14-9
• Molecular Formula: C₁₂H₁₀O₂
• Molecular Weight: 186.2066
• Mol File: 98230-14-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 367.9°Cat760mmHg
• Flash Point: 138°C
• Appearance: /
• Density: 1.677g/cm³
• Vapor Pressure: 1.32E-05mmHg at 25°C
• Refractive Index: 1.764
• CAS DataBase Reference: 1,5,2,4-Ethanediylidenecyclopenta(cd)pentalene-3,6(1H,4H)-dione, hexah ydro-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,5,2,4-Ethanediylidenecyclopenta(cd)pentalene-3,6(1H,4H)-dione, hexah ydro-(98230-14-9)
• EPA Substance Registry System: 1,5,2,4-Ethanediylidenecyclopenta(cd)pentalene-3,6(1H,4H)-dione, hexah ydro-(98230-14-9)

Safety Data

• Hazardous Substances Data: 98230-14-9(Hazardous Substances Data)

Usage

Molecular Structure

Polycyclic aromatic compound
It contains a five-membered ring fused to a six-membered ring, forming a complex structure.

Aromatic Properties

Unique aromatic characteristics
The compound exhibits interesting aromatic properties due to its complex structure.

Hydrogenation State

Fully hydrogenated
All available carbon atoms in the molecule are saturated with hydrogen atoms.

Applications

Organic synthesis, materials science, and medicinal chemistry
The compound is used in various fields due to its unique structure and potential reactivity.

Reactivity

Potential reactivity
The compound's complex structure and aromatic properties make it a candidate for further study and application in various chemical processes.

CAS Registry Number

Not provided
A unique identifier assigned to the compound by the Chemical Abstracts Service, which is not mentioned in the material provided.

Melting Point, Boiling Point, and Solubility

Not provided
Information about the compound's melting point, boiling point, and solubility properties is not available in the material provided.

InChI:InChI=1/C12H10O2/c13-11-7-1-2-4-3(1)9(11)6-5(7)8(2)12(14)10(4)6/h1-10H

Upstream product

• 104487-83-4 11,11-Dimethoxyhexacyclo<5.4.1.0^2,6.0^3,10.0^4,8.0^9,12>dodecan-5-on 
• 104487-82-3 11-Hydroxyhexacyclo<5.4.1.0^2,6.0^3,10.0^4,8.0^9,12>dodecan-5-on-dimethylacetal 
• 102427-33-8 Hexacyclo<5.4.1.0^2,6.0^3,10.0^4,8.0^9,12>dodecane-5,11-dione Bis(ethylene acetal) 

Downstream Products

• 91-20-3 naphthalene 
• 542-92-7 cyclopenta-1,3-diene 
• 4572-17-2 pentaprismane 
• 71-43-2 benzene 
• 98230-16-1 tetracyclo[7.2.1.0^4.11.0^6.10]dodeca-2,7-diene-5,12-dione 
• 104531-43-3 Hexacyclo<6.5.1.0^2,7.0^3,11.0^4,9.0^10,14>tetradecan-5,12-dion-bis(tosylhydrazon) 
• 104487-88-9 Hexacyclo<6.5.1.0^2,7.0^3,11.0^4,9.0^10,14>tetradecan-5,13-dion-bis(tosylhydrazon) 

Relevant articles and documents

SYNTHESIS OF A VERSATILE FUNCTIONALIZED TETRAQUINANE. CONVENIENT ACCESS TO 1,3-BISHOMOPENTAPRISMANEDIONE

The tetracyclic diene dione 1 has been synthesized by a short oxidative decarboxylation route starting with the domino Diels-Alder adduct 2.Photocyclization of the bisketal of 1 was used to arrive expediently at 1,3-bishomopentaprismanedione (7).

Synthesis of Hexacyclo2,6.0.3,10.04,8.09,12>dodecane-5,11-dione and its Conversion to Di-, Tri-, and Tetranitro-1,3-bishomopentaprismanes

Sulfenylation of the dianion of dimethyl tetracyclo4,11.06,10>dodeca-2,7-diene-5,12-dicarboxylate (9) with dimethyl disulfide delivered the exo,exo-bis(methylthio) derivative 10a.Subsequent saponification and oxidative decarboxylation resulted in transformation to tetracyclo4,11.06,10>dodeca-2,7-diene-5,12-dione (4).Upon photolysis of the bisketal 11 of this pivotal intermediate, arrival at the doubly functionalized 1,3-bishomopentaprismane 12 was achieved.Following acidic hydrolysis to give the title compound 5, elaboration of three dinitro (14 - 16), two trinitro (20, 21), and a tetranitro derivative (22) was accomplished.The configurational assignment to the first four products was achieved by means of 1H NMR spectroscopy and an X-ray crystal structure analysis of 21.The stereochemistries of the nitro-substituted cage molecules are discussed in terms of the mechanism of their formation and their densities, many of which are markedly enhanced.The structural features of the tetranitro-bishomopentaprismane 22 have also been elucidated by X-ray methods.