9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride

Base Information

• Chemical Name: 9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride
• CAS No.: 135906-03-5
• Molecular Formula: C₉H₁₈N₂*2ClH
• Molecular Weight: 227.177
• Hs Code.: 2933990090
• European Community (EC) Number: 806-536-9
• DSSTox Substance ID: DTXSID20596859
• Mol file: 135906-03-5.mol

Synonyms:906081-58-1;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride;135906-03-5;EXO-3-AMINO-9-METHYL-9-AZABICYCLO[3.3.1]NONANE DIHYDROCHLORIDE;Endo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane dihydrochloride;2118954-10-0;3-amino-9-methyl-9-azabicyclo[3.3.1]nonane dihydrochloride;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride;9-Azabicyclo[3.3.1]nonan-3-aMine, 9-Methyl-, hydrochloride (1;Exo-3-amino-9-methyl-9-azabicyclo[3.3.1]nonane DiHCl;MFCD09750974;MFCD12198903;Endo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane 2HCl;SCHEMBL703781;rel-(1R,3r,5S)-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride;rel-(1R,5S)-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine,dihydrochloride;DTXSID20596859;ZYQLBGNYBPWAFH-UHFFFAOYSA-N;AMY20516;AC7538;MFCD17976880;AKOS015915308;AC-1976;AS-15280;SY005903;SY007308;SY344503;DB-078725;CS-0112534;A19288;F78320;A807004;J-520434;9-methyl-9-azabicyclo[3.3.1]nonan-3-aminedihydrochloride;Endo3-amino-9-methyl-9-azabicyclo[3,3,1]nonanedihydrochloride;9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine--hydrogen chloride (1/2);Endo-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride

Chemical Property of 9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride

Chemical Property:

• Boiling Point: 294.6 °C at 760 mmHg
• Flash Point: 132 °C
• PSA: 29.26000
• LogP: 3.20260
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 226.1003540
• Heavy Atom Count: 13
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCCC1CC(C2)N.Cl.Cl
• Uses: endo-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine Dihydrochloride is an impurity in the synthesis of Granisetron HCl (G780000), a specific serotonin (5HT3) receptor antagonist. Used as an antiemetic.

Technology Process of 9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride

There total 5 articles about 9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride 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: 100.0%

3-amino-9-methyl-9-azabicyclo[3.3.1]nonane → 3-amino-9-methyl-9-azabicyclo[3.3.1]nonane dihydrochloride (135906-03-5,906081-58-1)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane;

Reference yield:

9-methyl-9-aza-bicyclo[3.3.1 ]nonan-3-one oxime (6164-67-6,96400-81-6) → C9H18N2*ClH (135906-03-5,906081-58-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ammonium acetate; hydrogen / ethanol / 24 h / 50 °C

1.2: 2 h / 0 - 20 °C

2.1: hydrogenchloride / water; methanol / 4 h / 20 °C

With hydrogenchloride; ammonium acetate; hydrogen; In methanol; ethanol; water;

Reference yield:

tert-butyl 9-methyl-9-azabicyclo[3.3.1]nonan-3-ylcarbamate (1006601-11-1) → C9H18N2*ClH (135906-03-5,906081-58-1)

Guidance literature:

With hydrogenchloride; In methanol; water; at 20 ℃; for 4h;

upstream raw materials:

tert-butyl 9-methyl-9-azabicyclo[3.3.1]nonan-3-ylcarbamate

Glutaraldehyde

pseudopelletierine

9-methyl-9-aza-bicyclo[3.3.1 ]nonan-3-one oxime

Refernces

• 1、 -. "Benzoxazole carboxamides for treating CINV and IBS-D". Page/Page column 7. . Retrieved 2008/06/13.