1-(3-Hydroxy-8-azabicyclo[3.2.1]oct-8-yl)ethanone

Base Information

• Chemical Name: 1-(3-Hydroxy-8-azabicyclo[3.2.1]oct-8-yl)ethanone
• CAS No.: 4030-20-0
• Molecular Formula: C9H15NO2
• Molecular Weight: 169.2209
• NSC Number: 75825
• DSSTox Substance ID: DTXSID30291484
• Mol file: 4030-20-0.mol

Synonyms:1-(3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl)ethanone;1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone;194784-11-7;4030-20-0;NSC75825;SCHEMBL14720699;DTXSID30291484;NSC-75825;AKOS013075713;F8885-2058;1-{3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl}ethan-1-one

Chemical Property of 1-(3-Hydroxy-8-azabicyclo[3.2.1]oct-8-yl)ethanone

Chemical Property:

• Vapor Pressure: 8.21E-06mmHg at 25°C
• Boiling Point: 335.7°Cat760mmHg
• Flash Point: 156.8°C
• Density: 1.189g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 169.110278721
• Heavy Atom Count: 12
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)N1C2CCC1CC(C2)O

Technology Process of 1-(3-Hydroxy-8-azabicyclo[3.2.1]oct-8-yl)ethanone

There total 17 articles about 1-(3-Hydroxy-8-azabicyclo[3.2.1]oct-8-yl)ethanone 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: 75.0%

(1R,3r,5S)-8-acetyl-8-azabicyclo[3.2.1]octan-3-yl acetate (55727-40-7) → 1-((1R,3r,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethan-1-one (4030-20-0)

Guidance literature:

With SO₃H silica gel; In methanol; at 100 ℃; for 6h; Inert atmosphere;

DOI:10.1080/00397911.2018.1548023

Reference yield:

3β-acetoxynortropane (194222-03-2) → 8-acetyl-nortropane-3exo-ol (4030-20-0)

Guidance literature:

With water; potassium carbonate;

DOI:10.1021/ja01142a005

Reference yield:

3-tropanol (120-29-6) → 1-((1R,3r,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethan-1-one (4030-20-0)

Guidance literature:

Multi-step reaction with 2 steps

1: water; potassium hexacyanoferrate(III); NaOH-solution

2: water

With sodium hydroxide; water; potassium hexacyanoferrate(III);

DOI:10.1021/ja01109a047

upstream raw materials:

tropacocaine-N oxide

acetic anhydride

tropacocain

(1R,3r,5S)-8-acetyl-8-azabicyclo[3.2.1]octan-3-yl acetate

Downstream raw materials:

8syn-ethyl-3endo-hydroxy-8anti-methyl-nortropanium; iodide

Desoxynorscopolin

Refernces