69591-40-8

Basic information

• Product Name: 15-iodo-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine
• CAS NO: 69591-40-8
• Molecular Formula: C₁₄H₁₉IO₅
• Molecular Weight: 394.2021
• Mol File: 69591-40-8.mol

Chemical Properties

• Boiling Point: 457.7°C at 760 mmHg
• Flash Point: 230.6°C
• Density: 1.442g/cm³
• Vapor Pressure: 3.96E-08mmHg at 25°C
• Refractive Index: 1.515
• CAS DataBase Reference: 15-iodo-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine(CAS DataBase Reference)
• NIST Chemistry Reference: 15-iodo-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine(69591-40-8)
• EPA Substance Registry System: 15-iodo-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine(69591-40-8)

Safety Data

• Hazardous Substances Data: 69591-40-8(Hazardous Substances Data)

Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule. In this case, the compound has 10 carbon (C), 15 hydrogen (H), 1 iodine (I), and 5 oxygen (O) atoms.

Explanation

The compound has an iodine atom attached to the 15th carbon atom in the cyclopentadecine structure, which can impart reactivity and potential toxicity to the compound.

Explanation

The compound is considered highly complex due to the presence of multiple ring structures (benzene and cyclopentadecine) and the iodine atom.

Explanation

The compound's stability may be affected by the multiple ring structures and the presence of the iodine atom, which can contribute to reactivity.

Explanation

The compound may have potential applications in various fields, such as organic synthesis for creating new compounds, medicinal chemistry for developing new drugs, or materials science for creating new materials with specific properties.

Explanation

More research is required to gain a comprehensive understanding of the compound's properties, reactivity, and potential applications in various fields.

Structure

Benzene ring and five oxygen atoms in a cyclopentadecine structure

Iodine atom

Attached at the 15th carbon position

Complexity

Highly complex

Stability

Potentially unstable

Applications

Organic synthesis, medicinal chemistry, or materials science

Further research

Needed to fully understand properties and potential uses

Upstream product

• 112-60-7 Tetraethylene glycol 
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• 14098-44-3 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin 

Downstream Products

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• 444336-13-4 15-[2-(4-methoxyphenyl)ethyn-1-yl]-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-pentaoxabenzocyclopentadecine 
• 108605-64-7 4-[4'-benzo-15-crown-5]benzo-15-crown-5 ether 
• 85917-22-2 Toluene-4-sulfonic acid 3-(6,7,9,10,12,13,15,16-octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecen-2-yl)-propyl ester 
• 113398-43-9 4'-(6,7,9,10,12,13,15,16-Octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecen-2-ylethynyl)-biphenyl-4-carbonitrile 
• 113398-45-1 2-(4'-Heptyl-biphenyl-4-ylethynyl)-6,7,9,10,12,13,15,16-octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecene 
• 113398-46-2 4'-[2-(6,7,9,10,12,13,15,16-Octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecen-2-yl)-ethyl]-biphenyl-4-carbonitrile 
• 70127-38-7 15-(2-phenylethyn-1-yl)-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-pentaoxabenzocyclopentadecine 
• 75460-23-0 2-((E)-Styryl)-6,7,9,10,12,13,15,16-octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecene 

Relevant articles and documents

Ethynylpyrene Linked Benzocrown Ethers as Fluorescent Sensors for Metal Ions

Substances containing ethynylpyrenes linked to either one or four benzocrown ethers were synthesized, and their absorption and fluorescence spectroscopic responses to metal ions were assessed. Addition of metal perchlorates to solutions of these substances promotes short wavelength shifts in their absorption and fluorescence maxima and increases in their fluorescence intensities. The magnitudes of the fluorescence intensity increases are dependent on the ring size and number of the crown ether and the nature of the metal cation. Association constants for complex formation were calculated using fluorescence intensity versus concentration data. Analysis using Job's plots showed that the substances containing one benzocrown ether moiety form 1:1 complexes with metal ions. Results of experiments employing repeated addition and removal of Mg(ClO4)2 demonstrate that the ON-OFF fluorescence response can be repeated at least three times. Results of molecular orbital calculations show that complexation with metal ions lowers the energies of both the π and π* levels of the ethynylpyrene moiety and that in some cases the vacant orbital on the metal becomes the LUMO of the complex. An explanation of the spectroscopic changes promoted by metal ions is proposed in terms of electrostatic repulsion and structural regulation.

Establishment of an efficient synthetic route to 3,4:3′,4′-bis(3,6,9-trioxaundecane-1,11-dioxy)benzil

3,4:3′,4′-Bis(3,6,9-trioxaundecane-1,11-dioxy)benzil (1) [bis(crown ether)benzil] was prepared by three different routes in which the third route C, including the method of Sonogashira-coupling, was the most efficient method with the overall yield of 50%. Further, the method of synthesizing the novel compound 3,4:3′,4′-bis[3,4-(3,6,9-trioxaundecane-1,11-dioxy)]benzoin (6) [bis(crown ether)benzoin], which has not yet been prepared appropriately, was also provided.