9-Benzyl-9-azabicyclo[3.3.1]nonan-3-amine

Base Information

• Chemical Name: 9-Benzyl-9-azabicyclo[3.3.1]nonan-3-amine
• CAS No.: 76272-99-6
• Molecular Formula: C₁₅H₂₂N₂
• Molecular Weight: 230.353
• DSSTox Substance ID: DTXSID30524981

Synonyms:9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;76272-99-6;9-BENZYL-9-AZA-BICYCLO[3.3.1]NON-3-YLAMINE;SCHEMBL8120312;DTXSID30524981;UWEVJKJUENNRQT-UHFFFAOYSA-N;BDA27299;AKOS009167271;SB38638;EN300-55802;3-amino-9-benzyl-9-azabicyclo-[3,3,1]-nonane;3-amino-9-benzyl-9-azabicyclo-[3.3.1]-nonane;Z291279218

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

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 230.178298710
• Heavy Atom Count: 17
• Complexity: 233

Purity/Quality:

97% ^*data from raw suppliers

9-Benzyl-9-azabicyclo[3.3.1]nonan-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CC(CC(C1)N2CC3=CC=CC=C3)N

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

There total 6 articles about 9-Benzyl-9-azabicyclo[3.3.1]nonan-3-amine 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: 90.0%

9-benzyl-9-azabicyclo<3.3.1>nonan-3-one methoxime (153198-02-8) → 3α/β-amino-9-benzyl-9-azabicyclo<3.3.1>nonane (76272-99-6)

Guidance literature:

With borane-THF; In tetrahydrofuran; for 20h; Heating;

DOI:10.1021/jm00075a028

Reference yield: 70.0%

9-N-benzylgranatane-3-ol mesylate → 3α/β-amino-9-benzyl-9-azabicyclo<3.3.1>nonane (76272-99-6)

Guidance literature:

With ammonium hydroxide; In ethanol; water; at 45 ℃;

Reference yield:

9-benzyl-9-azabicyclo[3.3.1]nonan-3-one (2291-58-9) → 3α/β-amino-9-benzyl-9-azabicyclo<3.3.1>nonane (76272-99-6)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl

2: LiBH₄

With hydrogenchloride; lithium borohydride; 1: Condensation / 2: Reduction;

upstream raw materials:

9-benzyl-9-azabicyclo<3.3.1>nonan-3-one methoxime

9-benzyl-9-azabicyclo[3.3.1]nonan-3-one

Glutaraldehyde

benzylamine

Downstream raw materials:

3β-<(tert-butyloxycarbonyl)amino>-9-benzyl-9-azabicyclo<3.3.1>nonane

2,3-dimethoxy-N-(9-azabicyclo<3.3.1>nonan-3β-yl)benzamide

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