(1E)-1-(Bicyclo[2.2.2]octan-2-yl)-3-phenyltriaz-1-ene

Base Information

• Chemical Name: (1E)-1-(Bicyclo[2.2.2]octan-2-yl)-3-phenyltriaz-1-ene
• CAS No.: 90893-09-7
• Molecular Formula: C14H19N3
• Molecular Weight: 229.325
• DSSTox Substance ID: DTXSID70531154
• Mol file: 90893-09-7.mol

Synonyms:90893-09-7;DTXSID70531154;(1E)-1-(Bicyclo[2.2.2]octan-2-yl)-3-phenyltriaz-1-ene

Chemical Property of (1E)-1-(Bicyclo[2.2.2]octan-2-yl)-3-phenyltriaz-1-ene

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 229.157897619
• Heavy Atom Count: 17
• Complexity: 263

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CCC1CC2N=NNC3=CC=CC=C3

Technology Process of (1E)-1-(Bicyclo[2.2.2]octan-2-yl)-3-phenyltriaz-1-ene

There total 1 articles about (1E)-1-(Bicyclo[2.2.2]octan-2-yl)-3-phenyltriaz-1-ene 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:

benzenediazonium tetrafluoroborate (369-57-3) + bicyclo<2.2.2>octan-2-ylamine hydrochloride (42166-64-3) → 1-phenyl-3-(bicyclo<2.2.2>octan-2-yl)triazene (90893-09-7)

Guidance literature:

With sodium carbonate; for 1h; 1.) CH₃CN, 1 h, 2.) -30 deg C, CH₃CN, 1 h;

DOI:10.1039/P29840000119

Reference yield:

1-phenyl-3-(bicyclo<2.2.2>octan-2-yl)triazene (90893-09-7) → norbornene (931-64-6) + exo-bicyclo<3.2.1>octan-2-yl acetate (51744-61-7,51744-62-8,92015-56-0,135094-46-1,145166-92-3) + tricyclo<3.2.1.02,7>octane (285-43-8) + bicyclo<2.2.2>oct-2-yl-acetate (51677-42-0) + N-(endo-bicyclo<3.2.1>)oct-2-yl-aniline (93638-25-6,93638-27-8)

Guidance literature:

With sodium acetate; acetic acid; Product distribution; Mechanism; deamination reactions of amine via triazene;

DOI:10.1039/P29840000119

upstream raw materials:

benzenediazonium tetrafluoroborate

bicyclo<2.2.2>octan-2-ylamine hydrochloride

Downstream raw materials:

norbornene

exo-bicyclo<3.2.1>octan-2-yl acetate

tricyclo<3.2.1.0^2,7>octane

bicyclo<2.2.2>oct-2-yl-acetate