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CAS 42718-18-3

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Benzeneacetic acid, α-amino-4-fluoro-, methyl ester, hydrochloride (1:1)

Description:
Benzeneacetic acid, α-amino-4-fluoro-, methyl ester, hydrochloride (1:1), with the CAS number 42718-18-3, is a chemical compound characterized by its structure, which includes a benzene ring, an acetic acid moiety, and an amino group with a fluorine substituent. This compound is typically encountered as a hydrochloride salt, which enhances its solubility in water and facilitates its use in various applications. The presence of the fluorine atom can influence the compound's reactivity and biological activity, often enhancing its pharmacological properties. As an amino acid derivative, it may exhibit properties relevant to medicinal chemistry, including potential roles in drug design or as an intermediate in the synthesis of more complex molecules. The methyl ester functionality suggests that it can undergo hydrolysis to release the corresponding carboxylic acid, which may be relevant in biological systems. Overall, this compound's unique structural features contribute to its potential utility in research and pharmaceutical applications.
Formula:C9H10FNO2·ClH
InChI:InChI=1S/C9H10FNO2.ClH/c1-13-9(12)8(11)6-2-4-7(10)5-3-6;/h2-5,8H,11H2,1H3;1H
InChI key:InChIKey=JLGSKYIBZLQSFR-UHFFFAOYSA-N
SMILES:C(C(OC)=O)(N)C1=CC=C(F)C=C1.Cl
Synonyms:
  • Methyl 2-amino-2-(4-fluorophenyl)acetate hydrochloride
  • Benzeneacetic acid, α-amino-4-fluoro-, methyl ester, hydrochloride
  • Benzeneacetic acid, α-amino-4-fluoro-, methyl ester, hydrochloride (1:1)
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