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CAS 77123-59-2

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Methyl 3-[2-(trimethylsilyl)ethynyl]benzoate

Description:
Methyl 3-[2-(trimethylsilyl)ethynyl]benzoate, identified by its CAS number 77123-59-2, is an organic compound characterized by its unique structure that includes a benzoate moiety and a trimethylsilyl group attached to an ethynyl functional group. This compound typically appears as a colorless to pale yellow liquid and is known for its relatively low volatility and moderate solubility in organic solvents. The presence of the trimethylsilyl group enhances its stability and can influence its reactivity, making it useful in various synthetic applications, particularly in organic synthesis and materials science. Methyl 3-[2-(trimethylsilyl)ethynyl]benzoate may also exhibit interesting electronic properties due to the conjugation between the ethynyl and aromatic systems. Its applications can extend to fields such as pharmaceuticals, agrochemicals, and polymer chemistry, where it may serve as an intermediate or a building block for more complex molecules. Safety data should be consulted for handling and storage, as with any chemical substance.
Formula:C13H16O2Si
InChI:InChI=1S/C13H16O2Si/c1-15-13(14)12-7-5-6-11(10-12)8-9-16(2,3)4/h5-7,10H,1-4H3
InChI key:InChIKey=NSXWMGYQHNWJQL-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(C#C[Si](C)(C)C)=CC=C1
Synonyms:
  • 3-Trimethylsilanylethynyl-benzoic acid methyl ester
  • Methyl 3-[(trimethylsilyl)ethynyl]benzoate
  • Methyl 3-[2-(trimethylsilyl)ethynyl]benzoate
  • Benzoic acid, 3-[(trimethylsilyl)ethynyl]-, methyl ester
  • Benzoic acid, 3-[2-(trimethylsilyl)ethynyl]-, methyl ester
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