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CAS 845617-21-2

:

Methyl 5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]benzoate

Description:
Methyl 5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]benzoate, with the CAS number 845617-21-2, is a synthetic organic compound characterized by its complex molecular structure, which includes a benzoate moiety, a methylsulfonyl group, and a trifluoroalkyl ether. This compound typically exhibits properties such as moderate solubility in organic solvents and limited solubility in water, which is common for many benzoate derivatives. The presence of the trifluoroethyl group often imparts unique electronic and steric properties, potentially enhancing its biological activity or chemical reactivity. Additionally, the methylsulfonyl group can influence the compound's polarity and reactivity, making it of interest in medicinal chemistry and material science. Its specific applications may vary, but compounds with similar structures are often explored for their potential in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. As with any chemical substance, safety data and handling precautions should be consulted to ensure proper usage and risk management.
Formula:C12H13F3O5S
InChI:InChI=1S/C12H13F3O5S/c1-7(12(13,14)15)20-10-5-4-8(21(3,17)18)6-9(10)11(16)19-2/h4-7H,1-3H3/t7-/m1/s1
InChI key:InChIKey=BVJQZAHQFKJQSQ-SSDOTTSWSA-N
SMILES:C(OC)(=O)C1=C(O[C@@H](C(F)(F)F)C)C=CC(S(C)(=O)=O)=C1
Synonyms:
  • Benzoic acid, 5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]-, methyl ester
  • (R)-Methyl 5-(methylsulfonyl)-2-((1,1,1-trifluoropropan-2-yl)oxy)benzoate
  • 5-Methylsulfonyl-2-[((R)-2,2,2-trifluoro-1-methylethyl)oxy]benzoic acid methyl ester
  • Methyl 5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]benzoate
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