CAS 47724-48-1

9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium

Description:

9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium, with the CAS number 47724-48-1, is a synthetic organic compound belonging to the xanthylium class of dyes. This compound features a complex structure characterized by a xanthene core, which is substituted with ethylamino groups and an ethoxycarbonylphenyl moiety. The presence of these substituents contributes to its unique chemical properties, including solubility in various organic solvents and potential applications in dye chemistry and photonics. The ethoxycarbonyl group enhances the compound's stability and solubility, while the dimethyl and ethylamino substitutions can influence its electronic properties, such as light absorption and emission characteristics. As a xanthylium dye, it may exhibit vibrant colors and is likely to be used in applications such as fluorescence microscopy, dye-sensitized solar cells, or as a pH indicator. Its stability and reactivity can be influenced by environmental factors such as pH and solvent polarity, making it a subject of interest in both academic and industrial research.

Formula: C₂₈H₃₁N₂O₃

InChI: InChI=1S/C28H31N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29-30H,6-8H2,1-5H3/q+1

InChI key: InChIKey=BRIVWQJCHBUVLE-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=C(C=2C3=C([O+]=C4C2C=C(C)C(NCC)=C4)C=C(NCC)C(C)=C3)C=CC=C1

Synonyms:

• Rhodamine 6G cation
• Orange 1
• 9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium
• Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, conjugate monoacid
• Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-