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CAS 306935-33-1

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Pentanoic acid, 2-chloro-4,4-dimethyl-3-oxo-, methyl ester

Description:
Pentanoic acid, 2-chloro-4,4-dimethyl-3-oxo-, methyl ester, with the CAS number 306935-33-1, is an organic compound characterized by its ester functional group and a complex structure that includes a pentanoic acid backbone. This compound features a chloro substituent and a ketone group, which contribute to its reactivity and potential applications in organic synthesis. Typically, esters like this one are known for their pleasant odors and are often used in flavoring and fragrance industries. The presence of the chloro group may impart unique chemical properties, such as increased reactivity in nucleophilic substitution reactions. Additionally, the dimethyl groups can influence the steric hindrance around the reactive sites, affecting the compound's behavior in chemical reactions. This compound may also exhibit biological activity, making it of interest in pharmaceutical research. Overall, its structural features suggest potential utility in various chemical applications, including synthesis and possibly as an intermediate in the production of more complex molecules.
Formula:C8H13ClO3
InChI:InChI=1/C8H13ClO3/c1-8(2,3)6(10)5(9)7(11)12-4/h5H,1-4H3
InChI key:InChIKey=NGRPVOKPBYTXLT-UHFFFAOYSA-N
SMILES:C(C(C(C)(C)C)=O)(C(OC)=O)Cl
Synonyms:
  • Pentanoic acid, 2-chloro-4,4-dimethyl-3-oxo-, methyl ester
  • Methyl 2-chloro-4,4-dimethyl-3-oxopentanoate
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