63978-12-1

Basic information

• Product Name: 3-Benzyl-8-propionyl-3,8-diazabicyclo[3.2.1]octane
• Synonyms: 3-Benzyl-8-propionyl-3,8-diazabicyclo[3.2.1]octane
• CAS NO: 63978-12-1
• Molecular Formula: C16H22 N2 O
• Molecular Weight: 258.36
• Mol File: 63978-12-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 400.7°C at 760 mmHg
• Flash Point: 170.5°C
• Appearance: /
• Density: 1.117g/cm³
• Vapor Pressure: 1.25E-06mmHg at 25°C
• Refractive Index: 1.57
• PKA: 8.53±0.20(Predicted)
• CAS DataBase Reference: 3-Benzyl-8-propionyl-3,8-diazabicyclo[3.2.1]octane(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Benzyl-8-propionyl-3,8-diazabicyclo[3.2.1]octane(63978-12-1)
• EPA Substance Registry System: 3-Benzyl-8-propionyl-3,8-diazabicyclo[3.2.1]octane(63978-12-1)

Safety Data

• Hazardous Substances Data: 63978-12-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C16H22N2O/c1-2-16(19)18-14-8-9-15(18)12-17(11-14)10-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3

Upstream product

• 79-03-8 propionyl chloride 
• 67571-90-8 3-benzyl-3,8-diazabicyclo[3.2.1]octane 

Downstream Products

• 63990-47-6 3-[3-(2-nitro-phenyl)-allyl]-8-propionyl-3,8-diaza-bicyclo[3.2.1]octane 
• 63990-46-5 3-[3-(3-nitro-phenyl)-allyl]-8-propionyl-3,8-diaza-bicyclo[3.2.1]octane 

Relevant articles and documents

Synthesis and μ-opioid receptor affinity of a new series of nitro substituted 3,8-diazabicyclo[3.2.1]octane derivatives

A new series of analogues (1c-j; 2c-i) of the previously reported analgesic 3,8-diazabicyclo[3.2.1]octanes (1a,b; 2a,b) was synthesized and tested for their affinity towards μ-opioid receptors. Modifications were introduced either at the cinnamyl or the acyl side chains. The majority of the new compounds, with the exception of 1c,j and 2c, showed K(i) values better or comparable with those of the models.