2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-1,3,3-trimethyl-3H-indol-1-ium 4-methylbenzene-1-sulfonate | CAS No. 205744-92-9

2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-1,3,3-trimethyl-3H-indol-1-ium 4-methylbenzene-1-sulfonate

Basic Information

CAS Number

205744-92-9

Molecular Formula

C39H43ClN2O3S

Molecular Weight

655.3 g/mol

AD

Basic Physical Properties

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4C)(C)C)CCC3)Cl)C)C

InChI

InChI=1S/C32H36ClN2.C7H8O3S/c1-31(2)24-14-7-9-16-26(24)34(5)28(31)20-18-22-12-11-13-23(30(22)33)19-21-29-32(3,4)25-15-8-10-17-27(25)35(29)6;1-6-2-4-7(5-3-6)11(8,9)10/h7-10,14-21H,11-13H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

YFKQZQGXOIXGEE-UHFFFAOYSA-M

Complexity

1120

Synonyms & References

English

  • 2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-1,3,3-trimethyl-3H-indolium 4-methylbenzenesulfonate
  • DTXSID30723816
  • 2-[2-[2-chloro-3-[2-(1, 3, 3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1, 3, 3-trimethylindole;4-methylbenzenesulfonate
  • 2-[2-[2-Chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;4-methylbenzenesulfonate
  • 205744-92-9
  • 2-(2-{2-Chloro-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-1,3,3-trimethyl-3H-indol-1-ium 4-methylbenzene-1-sulfonate
  • SCHEMBL223832
  • 2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethnyl]-1,3,3-trimethyl-3H-indolium 4-methylbenzenesulfonate
  • 3H-Indolium, 2-[2-[2-chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-, 4-methylbenzenesulfonate (1:1)
  • 2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole,4-methylbenzenesulfonate
  • 3H-Indolium, 2-[2-[2-chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3
  • 2-(1E)-2-(3E)-2-chloro-3-{2-(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylideneethylidene}cyclohex-1-en-1-ylethenyl-1,3,3-trimethyl-3H-indol-1-ium 4-methylbenzene-1-sulfonate

MDL Number

MFCD14584918

FAQ

What are the physical and chemical properties of 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-1,3,3-trimethyl-3H-indol-1-ium 4-methylbenzene-1-sulfonate (CAS: 205744-92-9)?

The compound is a crystalline solid with a high molecular weight. It has a low solubility in water but is soluble in organic solvents. Chemically, it is highly reactive due to the presence of a chloro group and an indolone moiety. It exhibits strong UV absorption and fluorescence properties, making it suitable for analytical applications.

How is 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-1,3,3-trimethyl-3H-indol-1-ium 4-methylbenzene-1-sulfonate (CAS: 205744-92-9) typically synthesized?

The synthesis typically involves a multi-step process including the preparation of indolone derivatives, alkylation reactions, and sulfonation. The reaction conditions are carefully controlled to achieve high yield and selectivity. The use of appropriate catalysts and solvents is crucial for the success of the synthesis.

What industries use 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-1,3,3-trimethyl-3H-indol-1-ium 4-methylbenzene-1-sulfonate (CAS: 205744-92-9)?

This compound is primarily used in the pharmaceutical and analytical chemistry industries due to its unique spectroscopic properties. It is also explored for applications in sensors and semiconductors, although its use in these areas is not as extensive as in pharmaceuticals.

What precautions should be taken when handling 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-1,3,3-trimethyl-3H-indol-1-ium 4-methylbenzene-1-sulfonate (CAS: 205744-92-9)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn when handling the compound. It should be stored in a cool, dry place away from direct sunlight. Spills should be cleaned up using appropriate absorbent materials and the area should be ventilated. Safety data sheets (SDS) should be consulted for detailed handling and disposal instructions.

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