55075-35-9

Basic information

• Product Name: 18-Crown-6 acetonitrile complex
• Synonyms: 18-Crown-6 acetonitrile complex;18-crown-6etheracetonitrilecomplex;1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2)
• CAS NO: 55075-35-9
• Molecular Formula: C12H24O6.2C2H3N
• Molecular Weight: 346.421
• Mol File: 55075-35-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 395.8°Cat760mmHg
• Flash Point: 163.8°C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 4.09E-06mmHg at 25°C
• CAS DataBase Reference: 18-Crown-6 acetonitrile complex(CAS DataBase Reference)
• NIST Chemistry Reference: 18-Crown-6 acetonitrile complex(55075-35-9)
• EPA Substance Registry System: 18-Crown-6 acetonitrile complex(55075-35-9)

Safety Data

• Hazardous Substances Data: 55075-35-9(Hazardous Substances Data)

Usage

Chemical compound

A compound formed from the complexation of 18-crown-6, a polyether crown ether, with acetonitrile.

Phase-transfer catalyst

Often used as a phase-transfer catalyst in organic reactions, facilitating the transfer of ions or molecules from one phase to another.

Coordination bonds

The 18-crown-6 molecule forms a stable complex with the acetonitrile molecule through coordination bonds.

Improved solubility

The complexation results in improved solubility for certain chemical reactions.

Reactivity

The complexation also results in improved reactivity for certain chemical reactions.

Applications

Has applications in various organic synthesis processes and is used in the purification and separation of compounds.

Biological and medicinal applications

Has been studied for its potential in various biological and medicinal applications due to its unique properties and structure.

InChI:InChI=1/C12H24O6.2C2H3N/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*1-2-3/h1-12H2;2*1H3

Upstream product

• 17455-13-9 18-crown-6 ether 
• 75-05-8 acetonitrile 

Relevant articles and documents

Syntheses and Crystal Structure of the Crown Ether Complexes (18-Crown-6)*2CH3CN, *CH3CN, and PF6

Single crystals of (18-crown-6)*2CH3CN were obtained by cooling a solution of 18-crown-6 in acetonitrile to 4 deg C.Space group P21/n, Z = 2.629 observed independent reflexions, R = 0.062.Lattice dimension at 19 deg C: a = 911.7(1), b = 852.0(1), c = 1370.0(2) pm; β = 104.61(1) deg.The compound forms a molecular structure with approximate D3d symmetry of the crown ether molecule, and C-H...O interactions of the acetonitrile molecules with the crown ether, the H...O distances being 243, 253, and 267 pm respectively. *CH3CN is formed as a by-product of the reaction of ReNCl4 with sodium fluoride in acetonitrile in the presence of 15-crown-5 and traces of water.Space group P, Z = 2, 3107 observed independent reflexions, R = 0.045.Lattice dimensions at 19 deg C: a = 823.4(1), b = 107.8(1), c = 1204.0(1) pm; α = 112.40(1) deg, β = 94.35(1) deg, γ = 104.63(1) deg.The compound forms ion pairs, in which the sodium atom is sixfold coordinated by the five oxygen atoms of the crown ether molecule, as well as by one oxygen atom of the ReO4(-) ion, which is only slightly distorted.The bond length Na-OReO3 is 237.8(8) pm, the bond angle NaORe is 164.3(5) deg. PF6 is formed in the reaction of 1, Z = 4, 1130 observed independent reflexions, R = 0.123.The high R value is due to disorder of the skeletal atoms of the crown ether molecule.The compound forms ion pairs, in which the sodium atom is sevenfold coordinated by the five oxygen atoms of the crown ether molecule, as well as by two fluorine atoms of the PF6(-) ion with Na-F bond lengths of 240(2), and 246(2) pm, respectively. - Key words: Crown Ether Complexes, Syntheses, IR Spectra, Crystal Structure