2-[(1E,3E,5E)-5-(3,3-Dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium perchlorate | CAS No. 127274-91-3

2-[(1E,3E,5E)-5-(3,3-Dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium perchlorate

Basic Information

CAS Number

127274-91-3

Molecular Formula

C61H99ClN2O4

Molecular Weight

959.9 g/mol

AD

Basic Physical Properties

Boiling Point

°Cat760mmHg

Solubility

Soluble in ethanol, methanol, dimethyl sulfoxide

CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C1=CC=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCCCCCCCC)(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C61H99N2.ClHO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-52-62-56-48-42-40-46-54(56)60(3,4)58(62)50-38-37-39-51-59-61(5,6)55-47-41-43-49-57(55)63(59)53-45-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h37-43,46-51H,7-36,44-45,52-53H2,1-6H3;(H,2,3,4,5)/q+1;/p-1

InChIKey

ZQSBJPAQPRVNHU-UHFFFAOYSA-M

LogP

19.61800

Complexity

1280

Synonyms & References

English

  • (2Z)-2-[(2E,4E)-5-(3,3-Dimethyl-1-octadecylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethyl-1-octadecylindole;perchlorate
  • 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindodicarbocyanine perchlorate
  • 127274-91-3
  • FT-0606143
  • 3H-Indolium, 2-[5-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-octadecyl-, perchlorate (1:1)
  • D95848
  • 2-[5-(3,3-dimethyl-1-octadecylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethyl-1-octadecylindole;perchlorate
  • 1,1'-DIOCTADECYL-3,3,3',3'-TETRAMETHYLINDODICARBOCYANINE PERCHLORATE
  • DiD perchlorate
  • DiD( DiIC18(5))
  • DiIC<sub>18</sub>(5) [DiD] [1,1'-Dioctadecyl-3,3,3',3'-tetramethylindodicarbocyanine perchlorate]
  • DiIC18(5)
  • 1,1'-dioctadecyl-3,3,3',3'-tetrame.indo-dicarbocyanine clo4
  • 1,1'-Dioctadecyl-3,3,3',3'-tetramethylindodicarbovyanineperchlorate
  • DID
  • 'DID' OIL
  • DiD oil DiIC18(5) oil
  • DIIC18(5) OIL
  • DILC18(5)
  • 'DID'
  • D 307
  • dilC18(5) dye
  • Lipophilic Dye Did

MDL Number

MFCD00216701

FAQ

What are the physical and chemical properties of 2-[(1E,3E,5E)-5-(3,3-Dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium perchlorate (CAS: 127274-91-3)?

This compound has a crystalline form with a molecular weight of approximately 1000 g/mol. It has low solubility in water but is soluble in organic solvents like chloroform. It is moderately reactive, particularly with nucleophiles. The compound shows stability under normal laboratory conditions but requires care when exposed to strong acids or bases.

How is 2-[(1E,3E,5E)-5-(3,3-Dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium perchlorate (CAS: 127274-91-3) typically synthesized?

The compound is synthesized via a multistep reaction involving the coupling of an indole derivative with an alkenyl halide in the presence of a Lewis acid catalyst. The reaction is carried out in an organic solvent under anhydrous conditions to achieve high yields. The product is then converted to its perchlorate salt using perchloric acid.

What industries use 2-[(1E,3E,5E)-5-(3,3-Dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium perchlorate (CAS: 127274-91-3)?

This compound has applications in the pharmaceutical industry for its potential use as a precursor in the synthesis of bioactive molecules. It also finds use in the polymer industry as a stabilizer. Additionally, it can be used in the development of sensitive sensors and as a dopant in semiconductor materials.

What precautions should be taken when handling 2-[(1E,3E,5E)-5-(3,3-Dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium perchlorate (CAS: 127274-91-3)?

Handling should be done in a well-ventilated area or fume hood to avoid inhalation of dust or aerosols. Use appropriate personal protective equipment, including gloves, goggles, and a laboratory coat. Spills should be handled with care using absorbent materials and the appropriate cleaning agents. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.

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