9-Methyl-9-azabicyclo[3.3.1]nonan-3-one oxime

Base Information

• Chemical Name: 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one oxime
• CAS No.: 6164-67-6
• Molecular Formula: C₉H₁₆N₂O
• Molecular Weight: 168.239
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID30390461
• Mol file: 6164-67-6.mol

Synonyms:6164-67-6;9-methyl-9-azabicyclo[3.3.1]nonan-3-one oxime;Pseudopelletierine oxime;N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-ylidene)hydroxylamine;MFCD03755545;9-Azabicyclo[3.3.1]nonan-3-one, 9-methyl-, oxime, (+)-;9-methyl-9-azabicyclo[3,3,1]nonan-3-one oxime;N-{9-methyl-9-azabicyclo[3.3.1]nonan-3-ylidene}hydroxylamine;9-Methyl-9-aza-bicyclo[3.3.1]nonan-3-one oxime;SCHEMBL2957850;DTXSID30390461;PUMZOLVVVUXXHJ-UHFFFAOYSA-N;AKOS000797711;AKOS024318800;PB30067;AS-18928;SY011696;CS-0049920;FT-0654809;ETHYL1-BOC-PIPERAZINE-2-CARBOXYLATEHCL;A18987;9-Azabicyclo[3.3.1]nonan-3-one,9-methyl-,oxime;N-methyl-9-azabicyclo-[3.3.1]-nonan-3-one oxime

Chemical Property of 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one oxime

Chemical Property:

• Melting Point: 126-127 °C
• Boiling Point: 281 °C at 760 mmHg
• PKA: 12.10±0.20(Predicted)
• Flash Point: 123.8 °C
• PSA: 35.83000
• Density: 1.27 g/cm³
• LogP: 1.40120
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 168.126263138
• Heavy Atom Count: 12
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

9-Methyl-9-azabicyclo[3.3.1]nonan-3-oneOxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCCC1CC(=NO)C2

Technology Process of 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one oxime

There total 2 articles about 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one oxime 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:

pseudopelletierine (552-70-5) → 9-methyl-9-aza-bicyclo[3.3.1 ]nonan-3-one oxime (6164-67-6,96400-81-6)

Guidance literature:

With hydroxylamine;

Reference yield:

Glutaraldehyde (111-30-8,29257-65-6,79215-57-9) → 9-methyl-9-aza-bicyclo[3.3.1 ]nonan-3-one oxime (6164-67-6,96400-81-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: disodium hydrogenphosphate / water / 25 h / 0 - 25 °C / Large scale

1.2: 1 h / 75 °C / pH Ca_. 3 / Large scale

2.1: sodium acetate; hydroxylamine hydrochloride / methanol / 16 h / 20 °C / Large scale

With disodium hydrogenphosphate; hydroxylamine hydrochloride; sodium acetate; In methanol; water;

Reference yield: 93.0%

9-methyl-9-aza-bicyclo[3.3.1 ]nonan-3-one oxime (6164-67-6,96400-81-6) → endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (76272-41-8,141650-55-7,76272-56-5)

Guidance literature:

With ammonia; rhodium; In methanol;

upstream raw materials:

pseudopelletierine

Glutaraldehyde

Downstream raw materials:

endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

(endo)-3-amino-9-methyl-9-azabicyclo[3.3.1]-nonane

C₁₅H₂₇N₃O

C₁₅H₂₇N₃O₂

Refernces

• 1、 Kaur, Jaswinder,Razdan, Balkishen,Ram, Veerma,Pant, Geeta. "Studies on azabicylo systems II: Synthesis and pharmacological evaluation of 3β-amino-9-methyl-9-azabicyclo [3.3.1] nonane analogs". . p. 269 - 274. Retrieved 2013/09/24.