CAS 60835-69-0 4'-Nitrobenzo-15-crown 5-Ether

NAVIGATION

4'-Nitrobenzo-15-crown 5-Ether

PRICE INQUIRY

Catalog Number

ACM60835690-1

CAS Number

60835-69-0

Product Name

4'-Nitrobenzo-15-crown 5-Ether

Structure

Category

Macrocycles; Supramolecular Host Materials

IUPAC Name

17-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene

Molecular Weight

313.3g/mol

Molecular Formula

C14H19NO7

Canonical SMILES

C1COCCOC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCO1

InChI

InChI=1S/C14H19NO7/c16-15(17)12-1-2-13-14(11-12)22-10-8-20-6-4-18-3-5-19-7-9-21-13/h1-2,11H,3-10H2

InChI Key

XIWRBQVYCZCEPG-UHFFFAOYSA-N

Application

The purpose of 4'-Nitrobenzo-15-crown 5-Ether is to serve as a versatile raw material and intermediate in chemical and pharmaceutical synthesis. This light yellow granular powder is particularly useful in separating cations and facilitating the dissolution of inorganic salts into organic solvents, thereby enabling naked anion chemistry. Additionally, it acts as a phase transfer catalyst and, when utilized as a chiral crown ether, can resolve racemic mixtures or separate isomers through chiral chromatography.

Complexity

323

Covalently-Bonded Unit Count

Exact Mass

313.116152g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

313.116152g/mol

NSC Number

175879

Rotatable Bond Count