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4-tert-Butylbenzo-15-crown-5 - ≥95%, high purity , CAS No.15196-73-3

    Grade & Purity:
  • ≥95%
In stock
Item Number
T338245
Grouped product items
SKU Size
Availability
Price Qty
T338245-250mg
250mg
2
$99.90
T338245-1g
1g
1
$285.90
View related series
Crown ether (7)

Basic Description

Synonyms 15-(Tert-butyl)-2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecine | STL298270 | EN300-24107535 | 17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene | LNNVNAOXLAULPK-UHFFFAOYSA-N | J-008871 | 4-tert-Butylben
Specifications & Purity ≥95%
Storage Temp Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

4-tert-Butylbenzo-15-crown-5 (tBuB15C5) is a macrocyclic compound that falls under the category of crown ethers, which are cyclic polyethers containing multiple ether groups capable of selectively binding cations. With a crown ether ring comprising five oxygen atoms, the tBuB15C5 molecule exhibits a particular affinity for metal ions, particularly potassium ions. Its unique properties and versatile applications have made it a widely utilized compound in scientific research. Scientific research extensively employs TBuB15C5 as a complexing agent for metal ions, particularly potassium ions. Its distinctive characteristics render it suitable for a broad range of applications, including ion-selective electrodes, sensors, and separation techniques. The mechanism of action of 4-tert-Butylbenzo-15-crown-5 revolves around the selective binding of potassium ions. The crown ether ring of the molecule has the ability to coordinate with potassium ions, resulting in the formation of a stable complex. This complexation leads to the generation of a steadfast ion pair, which finds application in various fields such as sensors and separation techniques.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic oxygen compounds
Class Organooxygen compounds
Subclass Ethers
Intermediate Tree Nodes Not available
Direct Parent Alkyl aryl ethers
Alternative Parents Benzenoids  Oxacyclic compounds  Dialkyl ethers  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
External Descriptors Not available

Associated Targets(non-human)

Trypanosoma brucei brucei (13300 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Gallus gallus (1187 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
INCHI InChI=1S/C18H28O5/c1-18(2,3)15-4-5-16-17(14-15)23-13-11-21-9-7-19-6-8-20-10-12-22-16/h4-5,14H,6-13H2,1-3H3
InChIKey LNNVNAOXLAULPK-UHFFFAOYSA-N
Smiles CC(C)(C)C1=CC2=C(C=C1)OCCOCCOCCOCCO2
Isomeric SMILES CC(C)(C)C1=CC2=C(C=C1)OCCOCCOCCOCCO2
PubChem CID 601053
Molecular Weight 324.41

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

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1 results found

Lot Number Certificate Type Date Item
H2406672 Certificate of Analysis Jul 26, 2024 T338245

Chemical and Physical Properties

Melt Point(°C) 92-95° C
Molecular Weight 324.400 g/mol
XLogP3 2.300
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 324.194 Da
Monoisotopic Mass 324.194 Da
Topological Polar Surface Area 46.200 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 315.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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