105731-52-0

Basic information

• Product Name: 1-Azabicyclo[3.2.1]oct-6-en-2-ol, 8,8-dimethyl-, 4-nitrobenzoate (ester), exo-
• CAS NO: 105731-52-0
• Molecular Formula: C16H18N2O4
• Molecular Weight: 302.33
• Mol File: 105731-52-0.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1-Azabicyclo[3.2.1]oct-6-en-2-ol, 8,8-dimethyl-, 4-nitrobenzoate (ester), exo-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Azabicyclo[3.2.1]oct-6-en-2-ol, 8,8-dimethyl-, 4-nitrobenzoate (ester), exo-(105731-52-0)
• EPA Substance Registry System: 1-Azabicyclo[3.2.1]oct-6-en-2-ol, 8,8-dimethyl-, 4-nitrobenzoate (ester), exo-(105731-52-0)

Safety Data

• Hazardous Substances Data: 105731-52-0(Hazardous Substances Data)

Upstream product

• 105731-48-4 3,3-Dimethyl-2-azabicyclo<2.2.2>oct-5-en-2-ol 
• 109638-19-9 3,3-Dimethyl-2-azabicyclo<2.2.2>oct-5-en-hydrochlorid 
• 109638-21-3 2-(Benzoyloxy)-3,3-dimethyl-2-azabicyclo<2.2.2>oct-5-en 
• 109638-20-2 3,3-Dimethyl-2-azabicyclo<2.2.2>oct-5-en-2-oxyl 
• 109638-18-8 3,3-Dimethyl-2-nitroso-2-azabicyclo<2.2.2>oct-5-en 
• 105731-51-9 4-Nitro-benzoic acid 3,3-dimethyl-2-aza-bicyclo[2.2.2]oct-5-en-2-yl ester 
• 105731-51-9 3,3-Dimethyl-2-(4-nitrobenzoyloxy)-2-azabicyclo<2.2.2>oct-5-en 

Relevant articles and documents

Consecutive and Parallel Rearrangements of 2-Azabicyclooctane Derivatives

Derivatives of both 2-azabicyclooct-5-ene and -octane bearing electronegative substituents on nitrogen show several types of rearrangements: 1) Ring closure to the aziridine derivative 14. 2) Consecutive rearrangement of 14 to 6-azabicyclooctanes 15. 3) Rearrangement to 1-azabicyclooct-2-ene 17 and -oct-6-ene systems 19. 4) Oxygen elimination from O-acylhydroxylamines to the corresponding amides (e.g. 12c -> 13c).We have examined these rearrangements especially with the help of 18O labelled educts and MINDO/3 calculations.They occur mostly via ion pairs of different types.The intermediacy of nitrenium ions was excluded.