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CAS 102638-45-9

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1,1-Dimethylethyl 3-(aminomethyl)benzoate

Description:
1,1-Dimethylethyl 3-(aminomethyl)benzoate, also known by its CAS number 102638-45-9, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a tert-butyl group (1,1-dimethylethyl) attached to the benzene ring, providing steric hindrance that can influence its reactivity and solubility. The presence of an aminomethyl group indicates that it contains an amine functional group, which can participate in various chemical reactions, including nucleophilic substitutions and hydrogen bonding. The molecular structure suggests potential applications in pharmaceuticals or as an intermediate in organic synthesis due to its functional groups. Additionally, the compound's physical properties, such as boiling point, melting point, and solubility, would depend on its molecular interactions and the presence of polar or nonpolar regions. Safety data and handling precautions should be considered, as with any chemical substance, to ensure proper usage in laboratory or industrial settings.
Formula:C12H17NO2
InChI:InChI=1S/C12H17NO2/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13/h4-7H,8,13H2,1-3H3
InChI key:InChIKey=HALKLPHYNWBHPB-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)C1=CC(CN)=CC=C1
Synonyms:
  • 1,1-Dimethylethyl 3-(aminomethyl)benzoate
  • 3-Aminomethyl-benzoic acid tert-butyl ester
  • Benzoic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester
  • Tert-Butyl 3-(Aminomethyl)Benzoate
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