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2-[(E)-2-{(3E)-2-Chloro-3-[(2Z)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}vinyl]-1,3,3-trimethyl-3H-indolium chloride(CAS: 199444-11-6)

2-[(E)-2-{(3E)-2-Chloro-3-[(2Z)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}vinyl]-1,3,3-trimethyl-3H-indolium chloride
CAS Number

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Basic Information

Molecular Formula
C32H36Cl2N2
Molecular Weight
519.5 g/mol

Physical Properties

Melting Point
208-215 °C (lit.)
Density
No data available
Flash Point
No data available

Chemical Identifiers

SMILES
CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4C)(C)C)CCC3)Cl)C)C.[Cl-]
InChIKey
BPSIJFMUSNMMAL-UHFFFAOYSA-M

Database References

MDL Number
MFCD03427067

FAQ

This compound is a crystalline solid with a high molecular weight, approximately 611.2 g/mol. It has a low solubility in water but is soluble in organic solvents like DMSO, DMF, and acetonitrile. The compound exhibits strong reactivity towards nucleophiles and can undergo electrophilic substitution reactions. It is stable under neutral and slightly acidic conditions but should be handled in inert atmospheres to avoid oxidation.
This compound is synthesized via a multistep process involving the formation of a cyclohexenone intermediate, followed by a Wittig reaction, a chlorination step, and a final indolium chloride formation. The synthesis typically requires controlled conditions and specialized catalysts to ensure high selectivity and yield. Detailed methods can be found in the literature.
This compound is used in the pharmaceutical industry for the development of new drugs due to its unique chemical structure and potential biological activities. It is also explored in the sensor and semiconductor industries for its electronic and optical properties. Additionally, it may have applications in the polymer industry as a functional monomer or additive.
When handling this compound, wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. Spills should be handled carefully using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

Contact Person

Mr. Zhai

Email

xiangyang.zhai@jk-sci.com

Mobile

18210857532

Address

Beijing Chaoyang District, Building A, 5th Floor, Junfeng Huating, No. 69 Beichen West Road