1-Azabicyclo[3.2.1]octan-6-one

Base Information

• Chemical Name: 1-Azabicyclo[3.2.1]octan-6-one
• CAS No.: 45675-76-1
• Molecular Formula: C7H11NO
• Molecular Weight: 125.16800
• Mol file: 45675-76-1.mol

Synonyms:(+/-) 1-azabicyclo[3.2.1]octan-6-one;1-azabicyclo[3.2.1]octane-3-one;1-azabicyclo[3.2.1]octan-3-one;1-Aza-bicyclo[3.2.1]octan-6-on;1-Azabicyclo[3.2.1]octan-6-one;1-aza-bicyclo[3.2.1]octan-6-one;

Chemical Property of 1-Azabicyclo[3.2.1]octan-6-one

Chemical Property:

• Melting Point: 129-130 °C
• Boiling Point: 204.9±23.0 °C(Predicted)
• PKA: 6.38±0.20(Predicted)
• PSA: 20.31000
• Density: 1.12±0.1 g/cm3(Predicted)
• LogP: 0.21900

Purity/Quality:

97% ^*data from raw suppliers

1-azabicyclo[3.2.1]octan-6-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-Azabicyclo[3.2.1]octan-6-one

There total 6 articles about 1-Azabicyclo[3.2.1]octan-6-one 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:

→ 1-azabicyclo[3.2.1]octan-6-one (45675-76-1)

Guidance literature:

With potassium ethoxide; toluene; Erhitzen des Reaktionsgemisches mit konz. Salzsaeure nach Abtrennung des Toluols;

DOI:10.1021/ja01129a020

Reference yield:

1-ethoxycarbonylmethyl-piperidine-3-carboxylic acid ethyl ester (114725-08-5) → 1-azabicyclo[3.2.1]octan-6-one (45675-76-1)

Guidance literature:

With hydrogenchloride; potassium tert-butylate; Yield given. Multistep reaction; 1.) toluene, reflux, 2 h, 2.) H₂O, reflux, 14 h;

DOI:10.1021/jm00058a004

Reference yield:

1-ethoxycarbonylmethyl-piperidine-3-carboxylic acid ethyl ester (114725-08-5) + toluene (108-88-3,15644-74-3,16713-13-6) → 1-azabicyclo[3.2.1]octan-6-one (45675-76-1)

Guidance literature:

Erwaermen des Reaktionsgemisches mit wss. HCl;

DOI:10.1021/ja01129a020

upstream raw materials:

1-ethoxycarbonylmethyl-piperidine-3-carboxylic acid ethyl ester

toluene

Downstream raw materials:

1-cinnamyl-1-azoniabicyclo<3.2.1>octan-6-one bromide

1-(3-phenylprop-2-ynyl)-1-azoniabicyclo<3.2.1>octan-6-one bromide

(5R)-1-azabicyclo[3.2.1]octane-6-one

(5S)-1-azabicyclo[3.2.1]octane-6-one

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