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[3.2.1]Propellane

Base Information
  • Chemical Name:[3.2.1]Propellane
  • CAS No.:19074-25-0
  • Molecular Formula:C8H12
  • Molecular Weight:108.1809
  • Hs Code.:2902199090
  • DSSTox Substance ID:DTXSID30940647
  • Mol file:19074-25-0.mol
[3.2.1]Propellane

Synonyms:[3.2.1]Propellane;Tricyclo[3.2.1.01,5]octane;19074-25-0;Tricyclo(3.2.1.01,5)octane;Tricyclo[3.2.1.0(1,5)]octane;DTXSID30940647;tricyclo[3,2,1,0 1,5]octane;Tricyclo[3.2.1.0~1,5~]octanato(3-)

Suppliers and Price of [3.2.1]Propellane
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
Total 3 raw suppliers
Chemical Property of [3.2.1]Propellane
Chemical Property:
  • Vapor Pressure:4.4mmHg at 25°C 
  • Boiling Point:152.8°Cat760mmHg 
  • Flash Point:22.8°C 
  • PSA:0.00000 
  • Density:1.02g/cm3 
  • LogP:2.34060 
  • XLogP3:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Rotatable Bond Count:0
  • Exact Mass:108.093900383
  • Heavy Atom Count:8
  • Complexity:134
Purity/Quality:

99% *data from raw suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1CC23CCC2(C1)C3
Technology Process of [3.2.1]Propellane

There total 5 articles about [3.2.1]Propellane 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:
Guidance literature:
With tert.-butyl lithium; In diethyl ether; pentane;
DOI:10.1021/ja00449a045
Guidance literature:
With ammonia; sodium; In 1,2-dimethoxyethane;
DOI:10.1021/ja00776a022
Guidance literature:
Multi-step reaction with 2 steps
1: NaOMe / pentane
2: Na, liq. NH3 / 1,2-dimethoxy-ethane
With ammonia; sodium methylate; sodium; In 1,2-dimethoxyethane; pentane;
DOI:10.1021/ja00776a022
Refernces

Electrophilic Cleavage of Cyclopropanes. Acetolysis of Bicyclic and Tricyclic Cyclopropanes

10.1021/ja00290a042

The research investigates the acetolysis of a series of bicyclo[n.1.0]alkanes and [n.m.1]propellanes to understand the factors influencing the rates and products of these reactions. The study aims to determine the role of ring strain, ionization potentials, and bond polarization in the acetolysis process. Key chemicals used include various cyclopropane derivatives such as bicyclo[3.1.0]hexane, [3.2.1]propellane, and [4.2.1]propellane, with acetic acid serving as the solvent and p-toluenesulfonic acid as the catalyst. The researchers found that, contrary to expectations, strain energy relief has little correlation with reaction rates, while ionization potentials show a rough correlation. The degree of C-C bond polarization in the presence of a proton is a significant factor controlling the acetolysis rates. The study concludes that polarization of the central bond, influenced by the energy gap between occupied and unoccupied orbitals, is crucial for the reactivity of cyclopropanes. This finding highlights the importance of electronic factors over structural strain in determining reaction outcomes.

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