2-(Bicyclo[2.2.1]heptan-2-yl)aniline

Base Information

• Chemical Name: 2-(Bicyclo[2.2.1]heptan-2-yl)aniline
• CAS No.: 92039-21-9
• Molecular Formula: C13H17N
• Molecular Weight: 187.285
• DSSTox Substance ID: DTXSID60576690
• Nikkaji Number: J2.191.641B
• Mol file: 92039-21-9.mol

Synonyms:92039-21-9;2-(Bicyclo[2.2.1]heptan-2-yl)aniline;SCHEMBL3152480;DTXSID60576690

Chemical Property of 2-(Bicyclo[2.2.1]heptan-2-yl)aniline

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 187.136099547
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CC1CC2C3=CC=CC=C3N

Technology Process of 2-(Bicyclo[2.2.1]heptan-2-yl)aniline

There total 12 articles about 2-(Bicyclo[2.2.1]heptan-2-yl)aniline 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%

2-(2-aminophenyl)norborn-2-ene (106795-62-4) → 2-(bicyclo[2.2.1]heptan-2-yl)aniline (92039-21-9)

Guidance literature:

With 1% Pd/C; hydrogen; at 20 ℃; for 4h;

Reference yield: 48.0%

norborn-2-ene (498-66-8) + aniline (62-53-3) → N-exo-bicyclo[2.2.1]hept-2-yl-aniline (22611-62-7,40649-30-7,15995-50-3) + ortho-exo-bicyclo[2.2.1]hept-2-yl-aniline (62226-49-7,92039-21-9)

Guidance literature:

proton-exchanged montmorillonite; In n-heptane; at 150 ℃; for 2h;

DOI:10.1021/ol0619821

Reference yield: 44.0%

norborn-2-ene (498-66-8) + aniline (62-53-3) → 2-(bicyclo[2.2.1]heptan-2-yl)aniline (92039-21-9)

Guidance literature:

With C₁₂H₁₁F₂In⁽¹⁺⁾*C₁₆AlF₃₆O₄^(1-); In fluorobenzene; at 110 ℃; for 12h; regioselective reaction; Sealed tube; Inert atmosphere; Glovebox;

DOI:10.1021/acs.joc.0c01585

upstream raw materials:

norborn-2-ene

2-iodophenylamine

aniline

exo-2-phenylbicyclo[2.2.1]heptane