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CAS 865233-36-9

:

Methyl (βS)-4-hydroxy-β-1-propyn-1-ylbenzenepropanoate

Description:
Methyl (βS)-4-hydroxy-β-1-propyn-1-ylbenzenepropanoate, identified by its CAS number 865233-36-9, is an organic compound characterized by its ester functional group, which is derived from the reaction of a carboxylic acid and an alcohol. This compound features a propynyl group, indicating the presence of a triple bond, and a hydroxyl group, which contributes to its reactivity and potential for hydrogen bonding. The stereochemistry of the βS configuration suggests specific spatial arrangements of its atoms, which can influence its biological activity and interactions. Typically, compounds like this may exhibit properties such as solubility in organic solvents, moderate stability under standard conditions, and potential applications in pharmaceuticals or agrochemicals due to their structural characteristics. The presence of both aromatic and aliphatic components in its structure may also suggest interesting electronic properties and reactivity patterns, making it a subject of interest in synthetic organic chemistry and material science.
Formula:C13H14O3
InChI:InChI=1S/C13H14O3/c1-3-4-11(9-13(15)16-2)10-5-7-12(14)8-6-10/h5-8,11,14H,9H2,1-2H3/t11-/m0/s1
InChI key:InChIKey=BENPHURJTUUUSX-NSHDSACASA-N
SMILES:[C@@H](CC(OC)=O)(C#CC)C1=CC=C(O)C=C1
Synonyms:
  • Benzenepropanoic acid, 4-hydroxy-β-1-propyn-1-yl-, methyl ester, (βS)-
  • (S)-Methyl 3-(4-hydroxyphenyl)hex-4-ynoate
  • Benzenepropanoic acid, 4-hydroxy-β-1-propynyl-, methyl ester, (βS)-
  • (3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid methyl ester
  • Methyl (βS)-4-hydroxy-β-1-propyn-1-ylbenzenepropanoate
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