tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate

Base Information

• Chemical Name: tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate
• CAS No.: 637301-19-0
• Molecular Formula: C12H19NO3
• Molecular Weight: 225.288
• Hs Code.: 2933990090
• Mol file: 637301-19-0.mol

Synonyms:tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate;

Chemical Property of tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate

Chemical Property:

• Boiling Point: 325.8±35.0 °C(Predicted)
• PKA: -1.58±0.20(Predicted)
• PSA: 46.61000
• Density: 1.139±0.06 g/cm3(Predicted)
• LogP: 1.77030
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl8-Oxo-3-azabicyclo[3.2.1]octane-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate

There total 2 articles about tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate 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: 90.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-benzyl-3-aza-bicyclo[3.2.1]octan-8-one (83507-33-9) → tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate (637301-19-0)

Guidance literature:

With 10 wt% Pd(OH)2 on carbon; hydrogen; In ethyl acetate; at 25 ℃; under 5171.62 Torr;

Reference yield:

cyclopentanone (120-92-3) → tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate (637301-19-0)

Guidance literature:

Multi-step reaction with 2 steps

1: chloro-trimethyl-silane / acetonitrile / 51 h / 20 - 50 °C

2: palladium(II) hydroxide / ethyl acetate / 20 °C / 2736.18 Torr

With chloro-trimethyl-silane; palladium(II) hydroxide; In ethyl acetate; acetonitrile;

Reference yield: 98.0%

tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate (637301-19-0) → 3-azabicyclo[3.2.1]octan-8-one hydrochloride (1427356-24-8)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 20 ℃; for 1h;

upstream raw materials:

cyclopentanone

di-tert-butyl dicarbonate

3-benzyl-3-aza-bicyclo[3.2.1]octan-8-one

Downstream raw materials:

3-azabicyclo[3.2.1]octan-8-one hydrochloride