9-Boc-3,9-diaza-bicyclo[3.3.1]nonane

Base Information

• Chemical Name: 9-Boc-3,9-diaza-bicyclo[3.3.1]nonane
• CAS No.: 941295-31-4
• Molecular Formula: C12H22N2O2
• Molecular Weight: 226.32
• Hs Code.: 2933998090
• Mol file: 941295-31-4.mol

Synonyms:9-Boc-3,9-diaza-bicyclo[3.3.1]nonane;tert-butyl 3,9-diazabicyclo[3.3.1]nonane-9-carboxylate

Chemical Property of 9-Boc-3,9-diaza-bicyclo[3.3.1]nonane

Chemical Property:

• PSA: 41.57000
• LogP: 2.01450

Purity/Quality:

98%,99%, ^*data from raw suppliers

tert-Butyl3,9-diazabicyclo[3.3.1]nonane-9-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 9-Boc-3,9-diaza-bicyclo[3.3.1]nonane

There total 2 articles about 9-Boc-3,9-diaza-bicyclo[3.3.1]nonane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 47.0%

3-benzyl-3,9-diazabicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester (1265966-70-8) → tert-butyl 3,9-diazabicyclo[3.3.1]nonane-9-carboxylate (941295-31-4)

Guidance literature:

With hydrogen; 10 wt% Pd(OH)2 on carbon; In ethanol;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + 3-benzyl-3,9-diaza-bicyclo[3.3.1]nonane (92373-56-3) → tert-butyl 3,9-diazabicyclo[3.3.1]nonane-9-carboxylate (941295-31-4)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 16 h / 23 °C

2: hydrogen / 10 wt% Pd(OH)2 on carbon / ethanol

With hydrogen; triethylamine; 10 wt% Pd(OH)2 on carbon; In ethanol; dichloromethane;

Reference yield:

tert-butyl 3,9-diazabicyclo[3.3.1]nonane-9-carboxylate (941295-31-4) + benzyl (7-bromochroman-3-yl)carbamate → tert-butyl 3-(3-(((benzyloxy)carbonyl)amino)chroman-7-yl)-3,9-diazabicyclo[3.3.1]nonane-9-carboxylate

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; caesium carbonate; XPhos; In toluene; at 100 ℃; for 14h;

upstream raw materials:

di-tert-butyl dicarbonate

3-benzyl-3,9-diaza-bicyclo[3.3.1]nonane

3-benzyl-3,9-diazabicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester

Refernces