N-Cbz-9-azabicyclo[3.3.1]nonan-3-one

Base Information

• Chemical Name: N-Cbz-9-azabicyclo[3.3.1]nonan-3-one
• CAS No.: 146747-65-1
• Molecular Formula: C₁₆H₁₉NO₃
• Molecular Weight: 273.332
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40571002
• Mol file: 146747-65-1.mol

Synonyms:N-CBZ-9-AZABICYCLO[3.3.1]NONAN-3-ONE;146747-65-1;benzyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate;DTXSID40571002;MFCD22371802;AKOS015903767;CS-11026;SY003187;CS-0217394;EN300-7418307;A884487

Chemical Property of N-Cbz-9-azabicyclo[3.3.1]nonan-3-one

Chemical Property:

• Vapor Pressure: 1.45E-07mmHg at 25°C
• Boiling Point: 429°C at 760 mmHg
• Flash Point: 213.2°C
• PSA: 46.61000
• Density: 1.206g/cm³
• LogP: 2.84710
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 273.13649347
• Heavy Atom Count: 20
• Complexity: 360

Purity/Quality:

97% ^*data from raw suppliers

Benzyl3-oxo-9-azabicyclo3.3.1nonane-9-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CC(=O)CC(C1)N2C(=O)OCC3=CC=CC=C3

Technology Process of N-Cbz-9-azabicyclo[3.3.1]nonan-3-one

There total 3 articles about N-Cbz-9-azabicyclo[3.3.1]nonan-3-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: 96.0%

benzyl chloroformate (501-53-1,94274-21-2) + 9-azabicyclo[3.3.1]nonan-3-one hydrochloride → (1R,5S)-3-Oxo-9-aza-bicyclo[3.3.1]nonane-9-carboxylic acid benzyl ester (146747-65-1)

Guidance literature:

With potassium carbonate; In dichloromethane; for 40h; Ambient temperature;

Reference yield:

Glutaraldehyde (111-30-8,29257-65-6,79215-57-9) → (1R,5S)-3-Oxo-9-aza-bicyclo[3.3.1]nonane-9-carboxylic acid benzyl ester (146747-65-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 78 percent / aq. sodium acetate / 1.) r.t., 1 h, 2.) 50 deg C, 4 h

2: H₂, 10percent aq. HCl / 5percent Pd/C / acetic acid / 48 h / 60 °C

3: 96 percent / 10percent aq. K₂CO₃ / CH₂Cl₂ / 40 h / Ambient temperature

With hydrogenchloride; hydrogen; sodium acetate; potassium carbonate; palladium on activated charcoal; In dichloromethane; acetic acid;

Reference yield:

9-benzyl-3-oxo-9-azoniabicyclo[3.3.1]nonane bromide → (1R,5S)-3-Oxo-9-aza-bicyclo[3.3.1]nonane-9-carboxylic acid benzyl ester (146747-65-1)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂, 10percent aq. HCl / 5percent Pd/C / acetic acid / 48 h / 60 °C

2: 96 percent / 10percent aq. K₂CO₃ / CH₂Cl₂ / 40 h / Ambient temperature

With hydrogenchloride; hydrogen; potassium carbonate; palladium on activated charcoal; In dichloromethane; acetic acid;

upstream raw materials:

benzyl chloroformate

Glutaraldehyde

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