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CAS 939768-65-7

:

1,1-Dimethylethyl cis-3-[[(4-methylphenyl)sulfonyl]oxy]cyclobutanecarboxylate

Description:
1,1-Dimethylethyl cis-3-[[(4-methylphenyl)sulfonyl]oxy]cyclobutanecarboxylate, identified by its CAS number 939768-65-7, is a chemical compound characterized by its complex structure, which includes a cyclobutane ring and a sulfonate ester functional group. This compound features a tert-butyl group (1,1-dimethylethyl) that contributes to its steric bulk, influencing its reactivity and interactions. The presence of the sulfonyl group, derived from 4-methylphenol, enhances its solubility in polar solvents and may impart specific biological activities. The cis configuration of the substituents around the cyclobutane ring suggests that the spatial arrangement of atoms could affect the compound's conformational stability and potential interactions with biological targets. Additionally, the carboxylate moiety may participate in hydrogen bonding and other intermolecular interactions, making this compound of interest in medicinal chemistry and material science. Overall, its unique structural features suggest potential applications in pharmaceuticals or as a synthetic intermediate in organic chemistry.
Formula:C16H22O5S
InChI:InChI=1/C16H22O5S/c1-11-5-7-14(8-6-11)22(18,19)21-13-9-12(10-13)15(17)20-16(2,3)4/h5-8,12-13H,9-10H2,1-4H3/t12-,13+
InChI key:InChIKey=XRAKRCWHGGQELJ-BETUJISGNA-N
SMILES:S(O[C@H]1C[C@@H](C(OC(C)(C)C)=O)C1)(=O)(=O)C2=CC=C(C)C=C2
Synonyms:
  • 1,1-Dimethylethyl cis-3-[[(4-methylphenyl)sulfonyl]oxy]cyclobutanecarboxylate
  • cis-tert-Butyl 3-(tosyloxy)cyclobutanecarboxylate
  • Cyclobutanecarboxylic acid, 3-[[(4-methylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester, cis-
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