95344-29-9

Basic information

• Product Name: Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, 7-amino-6,8,9-trinitro-3-oxo-2-(phenylmethyl)-, ethyl ester, compd. with N,N-diethylethanamine (1:1)
• CAS NO: 95344-29-9
• Molecular Formula: C19H20N4O9.C6H15N
• Molecular Weight: 549.581
• Mol File: 95344-29-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, 7-amino-6,8,9-trinitro-3-oxo-2-(phenylmethyl)-, ethyl ester, compd. with N,N-diethylethanamine (1:1)(CAS DataBase Reference)
• NIST Chemistry Reference: Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, 7-amino-6,8,9-trinitro-3-oxo-2-(phenylmethyl)-, ethyl ester, compd. with N,N-diethylethanamine (1:1)(95344-29-9)
• EPA Substance Registry System: Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, 7-amino-6,8,9-trinitro-3-oxo-2-(phenylmethyl)-, ethyl ester, compd. with N,N-diethylethanamine (1:1)(95344-29-9)

Safety Data

• Hazardous Substances Data: 95344-29-9(Hazardous Substances Data)

Upstream product

• 489-98-5 picramide 
• 620-79-1 Ethyl 2-benzylacetoacetate 
• 121-44-8 triethylamine 

Relevant articles and documents

Condensation-Cyclization of Carbanions with Electron-Deficient Aromatics. Formation and Structure of Delocalized Anions Containing the Bicyclononane Skeleton

A series of new bicyclic anions containing the bicyclononane skeleton have been prepared using sym-trinitrobenzene, ethyl 3,5-dinitrobenzoate, and picramide as the nitroaromatic moieties.Benzoylacetone, (p-nitrobenzoyl)acetone, (m-nitrobenzoyl)acetone, 1-(ethoxycarbonyl)-1-(X-benzyl)-2-propanone (X=H, p-OCH3, p-CH3, p-Cl, p-Br, p-NO2 and o-NO2), 1-(ethoxycarbonyl)-1-(2,3-dimethylbenzyl)-2-propanone, 1-(ethoxy-carbonyl)-1-(1-naphthylmethyl)-2-propanone, and 1-(ethoxycarbonyl)-1-benzoyl-2-propanone have been utilized as the carbanion precursors.The condensation-cyclizations are initiated with triethylamine and piperidine.The cyclic adducts derived from (p-nitrobenzoyl)acetone and (m-nitrobenzoyl)acetone are identical due to loss of the nitrobenzoyl moiety.Similarly the adduct from the addendum 1-(ethoxycarbonyl)-1-benzoyl-2-propanone suffers cleavage of the benzoyl moiety.Observations on the steric effects caused by some substituents at the site of condensation and spectral characterizations of the bicyclics have been recorded.