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CAS 1042398-26-4

:

[(3S,5R)-5-(2,4-Difluorophenyl)tetrahydro-5-(iodomethyl)-3-furanyl]methyl 2-methylpropanoate

Description:
The chemical substance with the name "[(3S,5R)-5-(2,4-Difluorophenyl)tetrahydro-5-(iodomethyl)-3-furanyl]methyl 2-methylpropanoate" and CAS number 1042398-26-4 is a complex organic compound characterized by its unique structural features. It contains a tetrahydrofuran ring, which contributes to its cyclic nature, and is substituted with a difluorophenyl group, enhancing its potential reactivity and biological activity. The presence of an iodomethyl group suggests that it may participate in nucleophilic substitution reactions, making it a candidate for various synthetic applications. Additionally, the ester functional group (methyl 2-methylpropanoate) indicates that it may exhibit properties typical of esters, such as volatility and solubility in organic solvents. The stereochemistry, denoted by the (3S,5R) configuration, implies specific spatial arrangements that can influence the compound's interactions with biological targets, potentially affecting its pharmacological properties. Overall, this compound's intricate structure and functional groups suggest it may have applications in medicinal chemistry or material science.
Formula:C16H19F2IO3
InChI:InChI=1S/C16H19F2IO3/c1-10(2)15(20)21-7-11-6-16(9-19,22-8-11)13-4-3-12(17)5-14(13)18/h3-5,10-11H,6-9H2,1-2H3/t11-,16+/m1/s1
InChI key:InChIKey=UAPWKMHARJRASG-BZNIZROVSA-N
SMILES:C(I)[C@@]1(C[C@H](COC(C(C)C)=O)CO1)C2=C(F)C=C(F)C=C2
Synonyms:
  • Propanoic acid, 2-methyl-, [(3S,5R)-5-(2,4-difluorophenyl)tetrahydro-5-(iodomethyl)-3-furanyl]methyl ester
  • [(3S,5R)-5-(2,4-Difluorophenyl)tetrahydro-5-(iodomethyl)-3-furanyl]methyl 2-methylpropanoate
  • ((3S,5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)tetrahydrofuran-3-yl) methyl isobutyrate
  • (3S,5R)-5-(2,4-Difluorophenyl)-5-(iodomethyl)tetrahydro-3-
  • 4-(2,4-difluorophenyl)pent-4-enoic acid
  • Posaconazole Impurity 25
  • Posaconazole Impurity 131
  • ((3S,5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)tetrahydrofuran-3-yl) methyl isobutyrate with ((3S,5S)-5-(2,4-difluorophenyl)-5-(iodomethyl)tetrahydrofuran-3-yl) methyl isobutyrate
  • furanyl]methyl 2-methylpropionate
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