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CAS 123852-10-8

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2,2-Dimethylbutanoic Acid [1S-[1a,3a,4,4aa,7,8(2S*,4S*)]]-4-Chloro-8-[2-[4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,4,4a,7,8,8a-octahydro-4a-hydroxy-3,7-dimethyl-1-naphthalenyl Ester

Description:
2,2-Dimethylbutanoic acid, with the CAS number 123852-10-8, is a complex organic compound characterized by its unique structural features, including multiple chiral centers and functional groups. This substance is an ester, indicating that it is derived from a carboxylic acid and an alcohol, which contributes to its reactivity and potential applications in organic synthesis. The presence of a chloro substituent and a silyl ether group suggests that it may exhibit specific reactivity patterns, making it useful in various chemical reactions, including nucleophilic substitutions and coupling reactions. The compound's stereochemistry, indicated by its detailed IUPAC name, implies that it may have distinct biological activities or interactions, which could be of interest in medicinal chemistry. Additionally, the presence of a naphthalene moiety may enhance its hydrophobic characteristics, influencing its solubility and partitioning behavior in biological systems. Overall, this compound's intricate structure and functional groups position it as a potentially valuable molecule in both research and industrial applications.
Formula:C31H53ClO6Si
InChI:InChI=1/C31H53ClO6Si/c1-11-30(7,8)28(34)37-24-16-20(3)27(32)31(35)15-14-19(2)23(26(24)31)13-12-21-17-22(18-25(33)36-21)38-39(9,10)29(4,5)6/h14-15,19-24,26-27,35H,11-13,16-18H2,1-10H3/t19-,20+,21+,22+,23-,24-,26-,27-,31-/m0/s1
Synonyms:
  • 4-tert-Butyldimethylsilyl-5’-chloro-4a’-hydroxy Simvastatin
  • (1S,3R,4S,4aS,7S,8S,8aS)-8-{2-[(2R,4R)-4-{[tert-butyl(dimethyl)silyl]oxy}-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-4-chloro-4a-hydroxy-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl 2,2-dimethylbutanoate
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