3-Methyl-2-azabicyclo[3.2.1]octane

Base Information

• Chemical Name: 3-Methyl-2-azabicyclo[3.2.1]octane
• CAS No.: 101251-90-5
• Molecular Formula: C₈H₁₅N
• Molecular Weight: 125.214
• DSSTox Substance ID: DTXSID30698994
• Mol file: 101251-90-5.mol

Synonyms:101251-90-5;3-METHYL-2-AZABICYCLO[3.2.1]OCTANE;2-Azabicyclo[3.2.1]octane,3-methyl-;2-Azabicyclo[3.2.1]octane,3-methyl-(6CI);DTXSID30698994;AKOS006377582

Chemical Property of 3-Methyl-2-azabicyclo[3.2.1]octane

Chemical Property:

• Boiling Point: 177.6±8.0 °C(Predicted)
• PKA: 11.69±0.40(Predicted)
• PSA: 12.03000
• Density: 0.900±0.06 g/cm3(Predicted)
• LogP: 1.86570
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 125.120449483
• Heavy Atom Count: 9
• Complexity: 111

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2CCC(C2)N1

Technology Process of 3-Methyl-2-azabicyclo[3.2.1]octane

There total 1 articles about 3-Methyl-2-azabicyclo[3.2.1]octane 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:

C14H18N2O5S (114635-59-5) → 2-methyl-3-azabicyclo<3.2.1>octane (101251-91-6) + 3-methyl-2-azabicyclo<3.2.1>octane (101251-90-5)

Guidance literature:

With sodium tetrahydroborate; Yield given. Multistep reaction. Yields of byproduct given; 1.) EtOAc, 25 deg C, 24 h;

DOI:10.1021/jo00249a034

upstream raw materials:

C₁₄H₁₈N₂O₅S

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