ChemicalBook--->CAS DataBase List--->14098-44-3

14098-44-3

14098-44-3 Structure

14098-44-3 Structure
IdentificationMore
[Name]

Benzo-15-crown-5
[CAS]

14098-44-3
[Synonyms]

1,4,7,10,13-PENTAOXA(13)ORTHOCYCLOPHANE
2,3,5,6,8,9,11,12-OCTAHYDRO-1,4,7,10,13-BENZOPENTAOXACYCLOPENTADECIN
2,3-BENZO-1,4,7,10,13-PENTAOXACYCLOPENTADEC-2-ENE
BENZO-15-CROWN-5
BENZO-15-CROWN 5-ETHER
CROWN ETHER/BENZO-15-CROWN-5
1,4,7,10,13-Benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-
2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine
2,3-benzo-1,4,7,10,13-pentaoxacyclopentadecane
2,3-Benzo-15-crown-5
4,7,10,13-Benzopentaoxacyclopentadecin,2,3,5,6,8,9,11,12-octahydro-1
7,10,13-benzopentaoxacyclopentadecin,2,3,5,6,8,9,11,12-octahydro-4
Benzo[6]1,4,7,10,13-pentaoxacyclopentadecane
benzo15c5
denzo15c5
Monobenzo-15-crown-5
Benzo-15-crown-5,97%
2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-15,17,19-triene
1,2-[Oxybis(ethyleneoxyethyleneoxy)]benzene
2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
[EINECS(EC#)]

237-947-6
[Molecular Formula]

C14H20O5
[MDL Number]

MFCD00005945
[Molecular Weight]

268.31
[MOL File]

14098-44-3.mol
Chemical PropertiesBack Directory
[Appearance]

ALMOST WHITE TO LIGHT GREY POWDER OR FLAKES
[Melting point ]

78-80 °C (lit.)
[Boiling point ]

371.47°C (rough estimate)
[density ]

1.1846 (rough estimate)
[refractive index ]

1.4825 (estimate)
[storage temp. ]

2-8°C
[form ]

Powder or Flakes
[color ]

Almost white to light gray
[Water Solubility ]

partially soluble
[Sensitive ]

Hygroscopic
[Detection Methods]

GC
[BRN ]

1624106
[InChI]

InChI=1S/C14H20O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h1-4H,5-12H2
[InChIKey]

DSFHXKRFDFROER-UHFFFAOYSA-N
[SMILES]

O1C2=CC=CC=C2OCCOCCOCCOCC1
[CAS DataBase Reference]

14098-44-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Bis(1,4,7,10,13-benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-)(14098-44-3)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[RTECS ]

DI5400000
[F ]

3-10
[Hazard Note ]

Irritant
[HS Code ]

29329995
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Tetrahydrofuran-->Tosyl chloride-->Catechol-->Tetrabutylammonium iodide-->GLYCOFUROL-->Ethane, 1,1'-oxybis[2-(2-iodoethoxy)--->O,O'-Bis(2-hydroxyethoxy)benzene-->2,2'-(2,2'-(1,2-phenylenebis(oxy))bis(ethane-2,1-diyl))bis(oxy)diethanol-->(1,2-phenylenebis(oxy))bis(ethane-2,1-diyl)bis(4-methylbenzenesulfonate)-->4'-Bromobenzo-15-crown 5-ether-->4'-Formylbenzo-15-crown 5-ether-->Ethane,1,1'-Oxybis〔2-(2-bromoethoxy)--->Pentaethylene Glycol Dimethanesulfonate-->Tetraethylene glycol di-p-tosylate-->Diethylene glycol bis(p-toluenesulfonate)
[Preparation Products]

ethylene dimethanesulfonate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin(14098-44-3).msds
Hazard InformationBack Directory
[Chemical Properties]

ALMOST WHITE TO LIGHT GREY POWDER OR FLAKES
[Uses]

Benzo-15-crown-5 is used in synthetic chemistry. It plays a major role and involved in complexation through ether oxygen. It is used in phase-transfer catalyst system. It is involved in 'Host-Guest' chemistry to identify the move of essential elements in the body. It can play the part of very complicated biological reactions such as enzyme functions, which finds application in the development of new pharmaceuticals.
[Application]

Benzo-15-crown-5 can be used for sol-gel material extraction to separate lithium isotopes, for making static detection sensors for formic acid gases, and as metal ion complexing agent and phase transfer reagent.
[Definition]

ChEBI: Benzo-15-crown-5 is a crown ether that is 15-crown-5 ortho-fused to a benzene ring.
[Preparation]

synthesis of Benzo-15-crown-5: benzo-15-crown-5 can be produced using Williamson synthesis reaction, featured by interaction between catechol (orto-dihydroxybenzene) and tetraethylene glycol dichloride (1,10-dichloro-3,6,9-trioxadecane) over sodium hydroxide in the n-butanol media (30-h inertatmosphere boiling). The yield of benzo-15-crown-5 produced by this method is 62%, with the basic substance's mass fraction of 95%.
Production of Macrocyclic Polyether Benzo-15-Crown-5 and its Functional Derivatives
Spectrum DetailBack Directory
[Spectrum Detail]

Benzo-15-crown-5(14098-44-3)MS
Benzo-15-crown-5(14098-44-3)1HNMR
Benzo-15-crown-5(14098-44-3)13CNMR
Benzo-15-crown-5(14098-44-3)IR1
Benzo-15-crown-5(14098-44-3)IR2
Benzo-15-crown-5(14098-44-3)Raman
Benzo-15-crown-5(14098-44-3)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Benzo-15-crown-5, 99%(14098-44-3)
[Alfa Aesar]

Benzo-15-crown-5, 98%(14098-44-3)
[Sigma Aldrich]

14098-44-3(sigmaaldrich)
[TCI AMERICA]

Benzo-15-crown 5-Ether,>98.0%(GC)(14098-44-3)
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