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CAS 1029612-67-6

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Methyl (2E)-3-(2-chlorophenyl)-2-butenoate

Description:
Methyl (2E)-3-(2-chlorophenyl)-2-butenoate, identified by its CAS number 1029612-67-6, is an organic compound characterized by its ester functional group and a conjugated double bond system. This compound features a methyl ester derived from a butenoic acid, specifically with a 2-chlorophenyl substituent, which contributes to its unique chemical properties. The presence of the chlorophenyl group enhances its lipophilicity and may influence its reactivity and interaction with biological systems. The (2E) configuration indicates the specific geometric arrangement of the double bond, which can affect the compound's stability and reactivity. Methyl (2E)-3-(2-chlorophenyl)-2-butenoate may exhibit interesting properties such as potential biological activity, making it of interest in fields like medicinal chemistry and agrochemicals. Its synthesis typically involves standard organic reactions, including esterification and possibly halogenation. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.
Formula:C11H11ClO2
InChI:InChI=1S/C11H11ClO2/c1-8(7-11(13)14-2)9-5-3-4-6-10(9)12/h3-7H,1-2H3/b8-7+
InChI key:InChIKey=QBTKGNLSXUEYGW-BQYQJAHWSA-N
SMILES:C(=C\C(OC)=O)(\C)/C1=C(Cl)C=CC=C1
Synonyms:
  • 2-Butenoic acid, 3-(2-chlorophenyl)-, methyl ester, (2E)-
  • Methyl (2E)-3-(2-chlorophenyl)-2-butenoate
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