KetoABNO

Base Information

• Chemical Name: KetoABNO
• CAS No.: 7123-92-4
• Molecular Formula: C8H12 N O2
• Molecular Weight: 154.189
• Hs Code.: 29339900
• DSSTox Substance ID: DTXSID30991538
• Nikkaji Number: J3.078.831A
• Mol file: 7123-92-4.mol

Synonyms:norpseudopelleterine-N-oxyl;NPPN

Chemical Property of KetoABNO

Chemical Property:

• PSA: 20.31000
• LogP: 0.85580
• Storage Temp.: 2-8°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 154.086803626
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

99%, ^*data from raw suppliers

9-Azabicyclo[3.3.1]nonan-3-oneN-oxyl 95% ^*data from reagent suppliers

Safty Information:

• Statements: 22-36/37/38
• Safety Statements: 22-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CC(=O)CC(C1)N2[O]
• Uses: Oxidant has been demonstrated in the application of aerobic oxidation of alcholols and amines at room temperature and ambient pressure. This product is also a convenient bench top stable solid.

Technology Process of KetoABNO

There total 3 articles about KetoABNO 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:

9-azabicyclo[3.3.1]nonan-3-one (4390-39-0) → 9-oxyl-9-azabicyclo<3.3.1>nonan-3-one (7123-92-4)

Guidance literature:

With sodium tungstate; dihydrogen peroxide;

DOI:10.1021/jo00146a012

Reference yield:

Glutaraldehyde (111-30-8,29257-65-6,79215-57-9) → 9-oxyl-9-azabicyclo<3.3.1>nonan-3-one (7123-92-4)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid; sodium acetate / water / 43 h / 0 - 30 °C / Darkness

2: hydrogen; palladium 10% on activated carbon / methanol / 27 h / 40 - 50 °C / 2068.65 - 2585.81 Torr

3: sodium tungstate (VI) dihydrate; urea hydrogen peroxide adduct / water / 2 h / 0 - 10 °C

With sodium tungstate (VI) dihydrate; sulfuric acid; palladium 10% on activated carbon; hydrogen; sodium acetate; urea hydrogen peroxide adduct; In methanol; water;

DOI:10.1021/acs.oprd.8b00191

Reference yield:

→ 9-oxyl-9-azabicyclo<3.3.1>nonan-3-one (7123-92-4)

Guidance literature:

Norpseudopelletierin 2b, - Oxyd.;

upstream raw materials:

9-azabicyclo[3.3.1]nonan-3-one

Glutaraldehyde

Refernces

• 1、 Nelsen, Stephen F.,Qualy, Richard J.,Gannett, Peter M.. "Electron Loss from 1,3,3-Trimethyl-2-azabicyclooctane Derivatives. Is ? Coupling Thermodynamically Important?". . p. 4879 - 4881. Retrieved 1982.
• 2、 Song, Zhiguo J.,Zhou, Guoyue,Cohen, Ryan,Tan, Lushi. "Preparation of ABNO on Scale and Analysis by Quantitative Paramagnetic NMR". supporting information. p. 1257 - 1261. Retrieved 2018/09/06.