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CAS 123330-92-7

:

1,1-Dimethylethyl 4-amino-3-methoxybenzoate

Description:
1,1-Dimethylethyl 4-amino-3-methoxybenzoate, also known by its CAS number 123330-92-7, is an organic compound characterized by its ester functional group, which is formed from the reaction of an amino acid and an alcohol. This compound features a benzoate structure, with a methoxy group and an amino group positioned on the aromatic ring, contributing to its chemical reactivity and potential biological activity. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its steric bulk, which can influence its solubility and interaction with biological systems. Typically, compounds of this nature may exhibit properties such as moderate to high lipophilicity, which can affect their absorption and distribution in biological contexts. Additionally, the methoxy and amino substituents can participate in hydrogen bonding, potentially impacting the compound's stability and reactivity. Overall, this compound may be of interest in pharmaceutical research and development due to its structural features that could confer specific biological activities.
Formula:C12H17NO3
InChI:InChI=1S/C12H17NO3/c1-12(2,3)16-11(14)8-5-6-9(13)10(7-8)15-4/h5-7H,13H2,1-4H3
InChI key:InChIKey=CCWIQTOOCXIQME-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)C1=CC(OC)=C(N)C=C1
Synonyms:
  • 1,1-Dimethylethyl 4-amino-3-methoxybenzoate
  • Benzoic acid, 4-amino-3-methoxy-, 1,1-dimethylethyl ester
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