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CAS 3519-30-0

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1,1-Dimethylethyl (2S)-2-hydroxy-3-methylbutanoate

Description:
1,1-Dimethylethyl (2S)-2-hydroxy-3-methylbutanoate, also known as tert-butyl 2-hydroxy-3-methylbutanoate, is an organic compound characterized by its ester functional group. It features a tert-butyl group, which contributes to its branched structure, enhancing its steric hindrance and influencing its reactivity. The compound has a chiral center at the second carbon, indicating that it exists as an enantiomer, specifically the (2S) configuration. This stereochemistry can affect its biological activity and interactions. The presence of the hydroxy group provides potential for hydrogen bonding, which can influence its solubility in polar solvents. Typically, compounds like this are used in organic synthesis and may serve as intermediates in the production of pharmaceuticals or agrochemicals. Its physical properties, such as boiling point and solubility, can vary based on the specific conditions and purity of the sample. Safety data should be consulted for handling and storage, as with all chemical substances.
Formula:C9H18O3
InChI:InChI=1S/C9H18O3/c1-6(2)7(10)8(11)12-9(3,4)5/h6-7,10H,1-5H3/t7-/m0/s1
InChI key:InChIKey=XQTIFSCLEWPKCF-ZETCQYMHSA-N
SMILES:C([C@H](C(C)C)O)(OC(C)(C)C)=O
Synonyms:
  • (S)-Alphahydroxyisovaleric acid tert-butyl ester
  • 1,1-Dimethylethyl (2S)-2-hydroxy-3-methylbutanoate
  • Butanoic acid, 2-hydroxy-3-methyl-, 1,1-dimethylethyl ester, (2S)-
  • Butanoic acid, 2-hydroxy-3-methyl-, 1,1-dimethylethyl ester, (S)-
  • Butyric acid, 2-hydroxy-3-methyl-, tert-butyl ester, <span class="text-smallcaps">L</span>-
  • tert-Butyl (2S)-2-hydroxy-3-methylbutanoate
  • tert-Butyl <span class="text-smallcaps">L</span>-α-hydroxyisovalerate
  • tert-Butyl-(2S)-2-hydroxy-3-methylbutanoat
  • tert-Butyl L-α-hydroxyisovalerate
  • Butyric acid, 2-hydroxy-3-methyl-, tert-butyl ester, L-
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