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CAS 186508-95-2

:

1,1-Dimethylethyl (4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

Description:
1,1-Dimethylethyl (4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, with the CAS number 186508-95-2, is a chemical compound characterized by its complex structure, which includes a dioxane ring and various functional groups such as an acetate and a cyanomethyl group. The presence of the dioxane moiety suggests that it may exhibit properties typical of cyclic ethers, including potential solubility in organic solvents and stability under certain conditions. The stereochemistry indicated by the (4S,6R) configuration implies specific spatial arrangements of atoms, which can influence the compound's reactivity and interactions with biological systems. This compound may be of interest in synthetic organic chemistry and medicinal chemistry due to its unique functional groups, which could facilitate further chemical transformations or applications in drug development. However, detailed information regarding its physical properties, such as melting point, boiling point, and solubility, would require empirical data or literature references for comprehensive understanding.
Formula:C14H23NO4
InChI:InChI=1S/C14H23NO4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11/h10-11H,6,8-9H2,1-5H3/t10-,11+/m1/s1
InChI key:InChIKey=DPNRMEJBKMQHMC-MNOVXSKESA-N
SMILES:C(C(OC(C)(C)C)=O)[C@H]1OC(C)(C)O[C@H](CC#N)C1
Synonyms:
  • 1,1-Dimethylethyl (4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
  • 1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S,6R)-
  • 1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S-trans)-
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