31517-61-0

Basic information

• Product Name: 4,8-dimethylbicyclo[3.3.1]nona-3,7-diene-2,6-dione
• Synonyms: 4,8-Dimethylbicyclo(3.3.1)nona-3,7-diene-2,6-dione
• CAS NO: 31517-61-0
• Molecular Formula: C₁₁H₁₂O₂
• Molecular Weight: 176.2118
• Mol File: 31517-61-0.mol
• Article Data: 3

Chemical Properties

• Melting Point: 125-126 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• Boiling Point: 327.6°C at 760 mmHg
• Flash Point: 122.8°C
• Density: 1.127g/cm³
• Vapor Pressure: 0.000199mmHg at 25°C
• Refractive Index: 1.532
• CAS DataBase Reference: 4,8-dimethylbicyclo[3.3.1]nona-3,7-diene-2,6-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 4,8-dimethylbicyclo[3.3.1]nona-3,7-diene-2,6-dione(31517-61-0)
• EPA Substance Registry System: 4,8-dimethylbicyclo[3.3.1]nona-3,7-diene-2,6-dione(31517-61-0)

Safety Data

• Hazardous Substances Data: 31517-61-0(Hazardous Substances Data)

Upstream product

• 4110-55-8 3,5-diacetylheptane-2,6-dione 
• 50-00-0 formaldehyd 
• 123-54-6 acetylacetone 

Downstream Products

• 85796-79-8 6,11-dimethyl-13-phenyl-1,7,8,12-tetra-azapentacyclo<5.5.1.1^2,6.0^3,11.0^5,9>tetradecane 
• 566172-13-2 6-allyl-6-hydroxy-4,8-dimethyl-bicyclo[3.3.1]nona-3,7-diene-2-one 
• 139914-54-8 4,8-dimethylbicyclo<3.3.1>nona-2,6-dione 
• 42505-99-7 4,8-Dimethyl-2,6-diphenyl-bicyclo[3.3.1]nona-2,6-diene 
• 431877-08-6 endo-2,endo-4,endo-6,endo-8-tetramethylbicyclo[3.3.1]nonane-exo-2,exo-6-diol 
• 88537-14-8 4,8-dimethylbicyclo<3.3.1>nona-3,7-diene-2,6-dione mono-2,4-dinitrophenylhydrazone 
• 88537-15-9 4,8-dimethylbicyclo<3.3.1>nona-3,7-diene-2,6-dione mono-2,4-dinitrophenylhydrazone 
• 86917-35-3 4,8-bis-(2-cyanophenyl)-2,6-dimethylenebicyclo<3.3.1>nona-3,7-diene 

Relevant articles and documents

Proximate, "Parallel-In-Plane" Preoriented Bis(diazenes) - In-Plane Delocalized Bis(homoconjugated) 4N/5(6)e Anions

Synthetic details are presented for a series of more or less rigid, "parallel-in-plane" preoriented bis(diazenes), with N= N/N=N distances (d) of 3.3-2.9 A and interorbital angles (ω) of 142-164° (X-ray crystal structures). DFT calculations (B3LYP/6-31G*) and one-/two-electron reduction experiments with the two least preoriented, most "distant" bis(diazenes) (dN=N/N=N ca, 3.3 A; ω 142-146°) provide more insight into the structural prerequisites for bis(homoconjugative) inplane electron delocalization in 4N/5e radical anions and 4N/6e dianions. Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003.

Synthesis of Bridged Benzodiazepines by Condensation of o-Phenylenediamines with 4,6-Dimethylbicyclonona-3,6-diene-2,8-dione

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