Norpseudopelletierine

Base Information

• Chemical Name: Norpseudopelletierine
• CAS No.: 4390-39-0
• Molecular Formula: C8H13NO
• Molecular Weight: 139.197
• Hs Code.: 2933990090
• UNII: I5M098IQPN
• Nikkaji Number: J1.463.992F
• Wikidata: Q27280475
• Mol file: 4390-39-0.mol

Synonyms:Norpseudopelletierine;I5M098IQPN;Norgranatan-3-one;UNII-I5M098IQPN;AKOS006343751;Q27280475

Chemical Property of Norpseudopelletierine

Chemical Property:

• Vapor Pressure: 0.0375mmHg at 25°C
• Melting Point: 98-99 °C(Solv: ligroine (8032-32-4))
• Refractive Index: 1.488
• Boiling Point: 240.6 °C at 760mmHg
• PKA: 9.31±0.20(Predicted)
• Flash Point: 108.2 °C
• PSA: 29.10000
• Density: 1.044 g/cm³
• LogP: 1.18880
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 139.099714038
• Heavy Atom Count: 10
• Complexity: 141

Purity/Quality:

98%,99%, ^*data from raw suppliers

9-Azabicyclo[3.3.1]nonan-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2CC(=O)CC(C1)N2
• Isomeric SMILES: C1C[C@@H]2CC(=O)C[C@H](C1)N2

Technology Process of Norpseudopelletierine

There total 1 articles about Norpseudopelletierine 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:

1,5-diaminopentane (462-94-2) → 9-azabicyclo[3.3.1]nonan-3-one (4390-39-0) + isopelletierine (4396-01-4)

Guidance literature:

With Brugmansia candida x aurea; Enzymatic reaction;

DOI:10.1016/S0031-9422(99)00292-7

Reference yield: 31.0%

benzoyl cyanide (613-90-1) + 9-azabicyclo[3.3.1]nonan-3-one (4390-39-0) → N-benzoyl-9-azabicyclo<3.3.1>nonan-3-one (36146-90-4)

Guidance literature:

In dichloromethane; at -10 ℃; for 7h;

DOI:10.1016/S0040-4020(99)00073-3

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

upstream raw materials:

1,5-diaminopentane

Downstream raw materials:

9-γ-thiophenylpropyl-9-azabicyclo<3.3.1>-nonan-3-one

9-γ-thio(4-chlorophenyl)propyl-9-azabicyclo<3.3.1>-nonan-3-one

9-γ-thio(4-methoxyphenyl)propyl-9-azabicyclo<3.3.1>-nonan-3-one

9-γ-thio(4-nitrophenyl)propyl-9-azabicyclo<3.3.1>-nonan-3-one

Refernces