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CAS 55420-71-8

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(3E)-4-(2,6-Dichlorophenyl)-3-buten-2-one

Description:
(3E)-4-(2,6-Dichlorophenyl)-3-buten-2-one, with the CAS number 55420-71-8, is an organic compound characterized by its conjugated double bond system and a dichlorophenyl substituent. This compound features a butenone structure, which includes a carbonyl group (C=O) adjacent to a double bond, contributing to its reactivity and potential applications in organic synthesis. The presence of the 2,6-dichlorophenyl group enhances its lipophilicity and may influence its biological activity, making it of interest in medicinal chemistry. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its reactivity can be attributed to the electrophilic nature of the carbonyl group, allowing for various chemical transformations. Additionally, the specific stereochemistry indicated by the (3E) configuration suggests that the compound has a defined geometric arrangement, which can significantly affect its chemical behavior and interactions with biological targets. Overall, this compound's unique structure and properties make it a subject of interest in various fields, including pharmaceuticals and agrochemicals.
Formula:C10H8Cl2O
InChI:InChI=1S/C10H8Cl2O/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-6H,1H3/b6-5+
InChI key:InChIKey=QUUBBGLIJLKARO-AATRIKPKSA-N
SMILES:C(=C/C(C)=O)\C1=C(Cl)C=CC=C1Cl
Synonyms:
  • 3-Buten-2-one, 4-(2,6-dichlorophenyl)-, (E)-
  • trans-4-(2,6-Dichlorophenyl)-3-buten-2-one
  • 3-Buten-2-one, 4-(2,6-dichlorophenyl)-, (3E)-
  • (3E)-4-(2,6-Dichlorophenyl)-3-buten-2-one
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