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(3E)-6-Bromo-3-[6-bromo-1-(2-ethylhexyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1-(2-ethylhexyl)-1,3-dihydro-2H-indol-2-one(CAS: 1147124-23-9)

(3E)-6-Bromo-3-[6-bromo-1-(2-ethylhexyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1-(2-ethylhexyl)-1,3-dihydro-2H-indol-2-one
CAS Number

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Basic Information

Molecular Formula
C32H40Br2N2O2
Molecular Weight
644.49 g/mol

Physical Properties

Melting Point
105-110 °C

Chemical Identifiers

SMILES
O=C1N(CC(CC)CCCC)C2=C(C=CC(Br)=C2)/C1=C3C(N(CC(CC)CCCC)C4=C/3C=CC(Br)=C4)=O
InChIKey
HUEXOUHCCSVYLP-QVIHXGFCSA-N

Database References

MDL Number
MFCD28125575

FAQ

The compound (3E)-6-Bromo-3-[6-bromo-1-(2-ethylhexyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1-(2-ethylhexyl)-1,3-dihydro-2H-indol-2-one has a crystalline form with a molecular weight of approximately 600 g/mol. It is poorly soluble in water but soluble in organic solvents such as dichloromethane and acetone. The compound exhibits moderate reactivity towards nucleophiles and is stable under normal conditions but should be handled with care to avoid decomposition. It has a specific rotation of around +5° to -5°.
The compound is typically synthesized via a multi-step process involving the reaction of bromoalkyl indoles with 2-ethylhexyl acrylate. The synthesis involves the condensation of 2-ethylhexyl acrylate with 6-bromo-1-(2-ethylhexyl)-2-oxo-1,2-dihydro-3H-indol-3-one, followed by the formation of the indolone structure. The reaction is carried out under mild conditions, using a catalytic amount of a Lewis acid such as zinc chloride as a catalyst. The yield of the final product is around 70-80%, and the reaction is selective with high purity.
This compound is primarily used in the pharmaceutical industry for the development of new drugs, due to its unique structural features that can influence biological activity. It may also be used in the polymer industry for the synthesis of functional polymers with improved properties. Additionally, it could be explored for use in sensors for detecting specific biological or chemical compounds, and in the semiconductor industry for its potential in electronic applications.
When handling (3E)-6-Bromo-3-[6-bromo-1-(2-ethylhexyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1-(2-ethylhexyl)-1,3-dihydro-2H-indol-2-one, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. It should be stored in a well-ventilated area and handled in a fume hood to minimize exposure. In the event of a spill, it should be cleaned up immediately and the area should be decontaminated with appropriate solvents. Always consult the Safety Data Sheet (SDS) for specific handling and disposal instructions.

Safety Notice

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

Always follow proper handling procedures

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