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Quinuclidine

Base Information
  • Chemical Name:Quinuclidine
  • CAS No.:100-76-5
  • Molecular Formula:C7H13N
  • Molecular Weight:111.187
  • Hs Code.:
  • European Community (EC) Number:202-887-1
  • UNII:XFX99FC5VI
  • DSSTox Substance ID:DTXSID2057607
  • Nikkaji Number:J108.948J
  • Wikipedia:Quinuclidine
  • Wikidata:Q1864086
  • Metabolomics Workbench ID:55856
  • ChEMBL ID:CHEMBL1209648
  • Mol file:100-76-5.mol
Quinuclidine

Synonyms:Quinuclidine;Quinuclidines

Suppliers and Price of Quinuclidine
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
  • TRC
  • Quinuclidine
  • 5mg
  • $ 60.00
  • TCI Chemical
  • Quinuclidine >96.0%(GC)(T)
  • 200mg
  • $ 35.00
  • TCI Chemical
  • Quinuclidine >96.0%(GC)(T)
  • 1g
  • $ 124.00
  • TCI Chemical
  • Quinuclidine >96.0%(GC)(T)
  • 5g
  • $ 339.00
  • Sigma-Aldrich
  • Quinuclidine 97%
  • 1g
  • $ 163.00
  • Sigma-Aldrich
  • Quinuclidine 97%
  • 10g
  • $ 843.00
  • Labseeker
  • 1-Azabicyclo[2.2.2]octane 97
  • 25g
  • $ 1308.00
  • Chem-Impex
  • Quinuclidine,96%(GC) 96%(GC)
  • 200MG
  • $ 34.72
  • Chem-Impex
  • Quinuclidine,96%(GC) 96%(GC)
  • 1G
  • $ 119.84
  • Chem-Impex
  • Quinuclidine,96%(GC) 96%(GC)
  • 5G
  • $ 376.32
Total 89 raw suppliers
Chemical Property of Quinuclidine
Chemical Property:
  • Appearance/Colour:White or almost white crystalline powder 
  • Vapor Pressure:1.5 mm Hg ( 20 °C) 
  • Melting Point:157-160 °C(lit.) 
  • Refractive Index:1.512 
  • Boiling Point:149.5 °C at 760 mmHg 
  • PKA:10.87±0.33(Predicted) 
  • Flash Point:36.5 °C 
  • PSA:3.24000 
  • Density:0.97 g/cm3 
  • LogP:1.04000 
  • Sensitive.:Air Sensitive 
  • Solubility.:H2O: very slightly soluble 
  • Water Solubility.:Soluble in alcohol, diethyl ether, water and organic solvents. 
  • XLogP3:1.4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Rotatable Bond Count:0
  • Exact Mass:111.104799419
  • Heavy Atom Count:8
  • Complexity:71.4
Purity/Quality:

99% *data from raw suppliers

Quinuclidine *data from reagent suppliers

Safty Information:
  • Pictogram(s): Toxic
  • Hazard Codes:
  • Statements: 24/25-38-41 
  • Safety Statements: 26-36/37/39-45 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:
  • Canonical SMILES:C1CN2CCC1CC2
  • Uses Quinuclidine acts as a catalyst, a chemical building block and is used in organic synthesis. It is employed to prepare quinine and alkaloids. It finds application as a ligand, which is useful in the studies of OsO4-catalyzed dihydroxylation of olefins. It plays an important role in the formation of onium salts used testing of PAC-antagonist activity.
Technology Process of Quinuclidine

There total 65 articles about Quinuclidine 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 potassium hydroxide; hydrazine; In diethylene glycol; at 160 ℃; for 3h;
DOI:10.1021/jacs.7b03539
Guidance literature:
With silica gel; In water; at 380 ℃; for 10h; Reagent/catalyst; Gas phase;
Guidance literature:
With water; sodium hydroxide;
DOI:10.1039/b917610a
Refernces

Quinuclidine and DABCO Enhance the Radiofluorination of 5-Substituted 2-Halopyridines

10.1002/ejoc.201700970

This research aims to improve the efficiency of radiofluorination reactions for the synthesis of PET radiotracers. The study explores the use of quinuclidine and DABCO as additives to enhance the nucleophilic substitution of [18F]fluoride ion in 5-substituted 2-halopyridines, which are challenging precursors due to the presence of a good leaving group. The researchers found that quinuclidine and DABCO significantly increased the yields of [18F]2-fluoropyridines to practically useful levels (>15%) by likely promoting radiofluorination through the reversible formation of quaternary ammonium intermediates. The study also demonstrated that these additives tolerated free aryl amino groups in the precursors and were effective in various 5-substituted 2-halopyridines. The findings suggest that quinuclidine and DABCO can facilitate the rapid screening of homologous candidate PET radiotracers by improving the radiosyntheses of [18F]2-fluoropyridines directly from more readily accessible 2-halopyridyl precursors.

Complexes of 2,2',2 -Nitrilotriphenol. Part 1. A Study of Bimolecular Nucleophilic Substitution at the Boron Atom

10.1002/hlca.19870700303

The research focuses on the study of bimolecular nucleophilic substitution at the boron atom in complexes of 2,2’,2”-nitrilotriphenol. The purpose of the study was to investigate the coordination of boron(III) complexes with electronegative ligand atoms and their reactivity towards N-nucleophiles, comparing it to the coordination behavior of carbon and silicon in the same row and diagonally related in the periodic table. The researchers synthesized and studied the reactivity of the boron complex 111, which forms with the ligand 2,2’,2”-nitrilotriphenol, and its subsequent reactions with nitrogen bases like pyridine, quinuclidine, and others. Through temperature-dependent NMR spectroscopy, they found that the reaction is a bimolecular nucleophilic substitution (SN2). The chemicals used in the process included trimethyl borate, 2,2’,2”-nitrilotriphenol, pyridine, quinuclidine, diazabicyclooctane (DABCO), 4-(dimethylamino)pyridine (Me2NPy), and other N-donors, as well as solvents like chloroform (CHCl3), acetonitrile (MeCN), and tetrahydrofuran (THF). The study concluded that the complex 111 is considerably strained and that the reaction entropy is found almost completely on the bimolecular side of the reaction profile, indicating an associative transition state, i.e., an SN2-type mechanism for the nucleophilic substitution.

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