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CAS 99437-70-4

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Butanoic acid,4,4,4-trifluoro-3-hydroxy-, ethyl ester, (3S)-

Description:
Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, ethyl ester, with the CAS number 99437-70-4, is an organic compound characterized by its ester functional group derived from butanoic acid and ethyl alcohol. This compound features a trifluoromethyl group, which significantly influences its chemical properties, including increased lipophilicity and potential biological activity. The presence of the hydroxy group contributes to its polarity and can participate in hydrogen bonding, affecting its solubility in various solvents. The stereochemistry indicated by (3S) suggests a specific three-dimensional arrangement of atoms, which can impact the compound's reactivity and interaction with biological systems. Generally, esters like this one are known for their pleasant odors and are often used in flavoring and fragrance applications. Additionally, the trifluoromethyl group may enhance the compound's stability and resistance to metabolic degradation, making it of interest in pharmaceutical and agrochemical research. Overall, this compound exemplifies the diverse functionalities that can arise from the combination of different chemical groups in organic synthesis.
Formula:C6H9F3O3
InChI:InChI=1S/C6H9F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h4,10H,2-3H2,1H3/t4-/m0/s1
InChI key:ZWEDFBKLJILTMC-BYPYZUCNSA-N
SMILES:CCOC(=O)C[C@@H](C(F)(F)F)O
Synonyms:
  • Butanoicacid, 4,4,4-trifluoro-3-hydroxy-, ethyl ester, (S)-
  • (3S)-4,4,4-Trifluoro-3-hydroxybutanoic acid ethyl ester
  • (S)-(-)-Ethyl4,4,4-trifluoro-3-hydroxybutanoate
Found 2 products.