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CAS 1956354-84-9

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Benzoic acid, 3-[(dimethylamino)methyl]-5-fluoro-, methyl ester, hydrochloride (1:1)

Description:
Benzoic acid, 3-[(dimethylamino)methyl]-5-fluoro-, methyl ester, hydrochloride (1:1) is a chemical compound characterized by its structure, which includes a benzoic acid moiety modified with a dimethylamino group and a fluorine atom at specific positions on the aromatic ring. This compound is typically a white to off-white solid and is soluble in polar solvents such as water and methanol due to the presence of the hydrochloride salt form. The dimethylamino group contributes to its basicity, while the methyl ester functionality can participate in various chemical reactions, including hydrolysis and esterification. The presence of the fluorine atom may enhance the compound's biological activity and lipophilicity, making it of interest in pharmaceutical applications. Its hydrochloride form indicates that it is a salt, which can influence its stability and solubility profile. Overall, this compound's unique structural features suggest potential utility in medicinal chemistry and related fields.
Formula:C11H15ClFNO2
InChI:InChI=1S/C11H14FNO2.ClH/c1-13(2)7-8-4-9(11(14)15-3)6-10(12)5-8;/h4-6H,7H2,1-3H3;1H
InChI key:InChIKey=CAVCFNJIQXTJNN-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(CN(C)C)=CC(F)=C1.Cl
Synonyms:
  • Benzoic acid, 3-[(dimethylamino)methyl]-5-fluoro-, methyl ester, hydrochloride (1:1)
  • Methyl 3-((Dimethylamino)Methyl)-5-Fluorobenzoate Hydrochloride
  • Methyl 3-((Dimethylamino)Methyl)-5-Fluorobenzoate Hydrochloride(WXC01415)
  • METHYL 3-((DIMETHYLAMINO)METHYL)-5-FLUOROBENZOATE HCL
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