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CAS 289042-12-2

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1,1-Dimethylethyl (4R,6S)-6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate

Description:
The chemical substance known as "1,1-Dimethylethyl (4R,6S)-6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate" with CAS number 289042-12-2 is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as dioxane, acetate, and a pyrimidine moiety. This compound exhibits chirality, indicated by the specific stereochemistry at the 4R and 6S positions, which can influence its biological activity and interactions. The presence of a fluorophenyl group suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. Additionally, the methylsulfonyl group may enhance solubility and bioavailability. Overall, this compound's unique structural features contribute to its potential utility in various chemical and biological applications, although specific properties such as solubility, melting point, and reactivity would require empirical data for precise characterization.
Formula:C29H40FN3O6S
InChI:InChI=1S/C29H40FN3O6S/c1-18(2)25-23(15-14-21-16-22(38-29(6,7)37-21)17-24(34)39-28(3,4)5)26(19-10-12-20(30)13-11-19)32-27(31-25)33(8)40(9,35)36/h10-15,18,21-22H,16-17H2,1-9H3/b15-14+/t21-,22-/m1/s1
InChI key:InChIKey=WIFPCEOJTKZGSA-UQECUQMJSA-N
SMILES:C(=C/[C@@H]1C[C@H](CC(OC(C)(C)C)=O)OC(C)(C)O1)\C=2C(=NC(N(S(C)(=O)=O)C)=NC2C(C)C)C3=CC=C(F)C=C3
Synonyms:
  • (4R,6S)-6-[(1E)-2-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester
  • 1,1-Dimethylethyl (4R,6S)-6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate
  • 1,3-Dioxane-4-acetic acid,6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6S)-
  • 6-[(1E)-2-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid 1,1-dimethylethyl ester
  • R-1
  • Rosuvastatin calcium intermediate R-2
  • Tert-Butyl6-((1E)-2-(4-(4-Fluorophenyl)-6-(1-Methylethyl)-2-(Methyl(Methylsulfonyl)Amino)-5-Pyrimidinyl)Ethenyl)-2,2-Dimethyl-1,3-Dioxane-4-Acetate
  • tert-Butyl 6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methyl sulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate
  • tert-butyl {(4R,6S)-6-[(E)-2-{4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetate
  • tert-Butyl 6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl) amino] -5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate
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