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CAS 115588-20-0

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(αS)-α-Methyl-4-(2-methylpropyl)benzeneacetyl chloride

Description:
(αS)-α-Methyl-4-(2-methylpropyl)benzeneacetyl chloride, with the CAS number 115588-20-0, is a chemical compound characterized by its acyl chloride functional group, which is known for its reactivity, particularly in acylation reactions. This compound features a benzene ring substituted with both a methyl group and a branched alkyl chain, contributing to its hydrophobic nature. The presence of the acetyl chloride moiety indicates that it can readily react with nucleophiles, making it useful in organic synthesis, particularly in the formation of amides and esters. Its stereochemistry, denoted by the (αS) configuration, suggests specific spatial arrangements that can influence its reactivity and interactions with biological systems. As with many acyl chlorides, it is likely to be sensitive to moisture and should be handled under anhydrous conditions to prevent hydrolysis. Overall, this compound's unique structure and functional groups make it a valuable intermediate in the synthesis of various organic compounds.
Formula:C13H17ClO
InChI:InChI=1S/C13H17ClO/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3/t10-/m0/s1
InChI key:InChIKey=QXVRLFIKHYCFJS-JTQLQIEISA-N
SMILES:[C@H](C(Cl)=O)(C)C1=CC=C(CC(C)C)C=C1
Synonyms:
  • (S)-(+)-Ibuprofen acid chloride
  • Benzeneacetyl chloride, α-methyl-4-(2-methylpropyl)-, (S)-
  • (αS)-α-Methyl-4-(2-methylpropyl)benzeneacetyl chloride
  • Benzeneacetyl chloride, α-methyl-4-(2-methylpropyl)-, (αS)-
  • (S)-Ibuprofen acid chloride
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  • (S)-(+)-Ibuprofen Acid Chloride
    TRC
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    (S)-(+)-Ibuprofen Acid Chloride

    Controlled Product
    CAS:
    <p>Stability Moisture Sensitive<br>Applications (S)-(+)-Ibuprofen Acid Chloride is an intermediate in the synthesis of (S)-(+)-Ibuprofen Propylene Glycol Ester (I140100), a derivative of (S)-(+)-Ibuprofen (I140010), a nonsteroidal anti-inflammatory drug (NSAID).<br>References Busson, M., et al.: J. Int. Med Res., 14, 53 (1986), Meade, E.A., et al.: J. Biol. Chem., 268, 6610 (1993), Davies, N.M., et al.: Clin. Pharmacokinet., 34, 101 (1998),<br></p>
    Formula:C13H17ClO
    Color and Shape:Neat
    Molecular weight:224.73

    Ref: TR-I140110

    25mg
    707.00€