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CAS 1020719-49-6

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Methyl 4-(4-hydroxy-1-butyn-1-yl)-α,α-di(methyl-d3)benzeneacetate

Description:
Methyl 4-(4-hydroxy-1-butyn-1-yl)-α,α-di(methyl-d3)benzeneacetate is a synthetic organic compound characterized by its complex structure, which includes a methyl ester functional group, a hydroxy group, and a butynyl side chain. The presence of the α,α-di(methyl-d3) substituents indicates that the compound contains deuterated methyl groups, which can be useful in studies involving isotopic labeling. This compound is likely to exhibit properties typical of esters, such as volatility and solubility in organic solvents, while the hydroxy and butynyl groups may impart additional reactivity and potential for hydrogen bonding. Its unique structure suggests potential applications in fields such as medicinal chemistry, materials science, or as a reagent in organic synthesis. However, specific physical and chemical properties, such as boiling point, melting point, and reactivity, would need to be determined experimentally or sourced from detailed chemical databases for comprehensive understanding.
Formula:C15H12D6O3
InChI:InChI=1S/C15H18O3/c1-15(2,14(17)18-3)13-9-7-12(8-10-13)6-4-5-11-16/h7-10,16H,5,11H2,1-3H3/i1D3,2D3
InChI key:InChIKey=QZGRXTVHAIGNKD-WFGJKAKNSA-N
SMILES:C(C(OC)=O)(C([2H])([2H])[2H])(C([2H])([2H])[2H])C1=CC=C(C#CCCO)C=C1
Synonyms:
  • Benzeneacetic acid, 4-(4-hydroxy-1-butyn-1-yl)-α,α-di(methyl-d3)-, methyl ester
  • Methyl 4-(4-hydroxy-1-butyn-1-yl)-α,α-di(methyl-d3)benzeneacetate
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