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CAS 66737-89-1

:

3-(1,1-Dimethylethyl)-4-methoxybenzoic acid

Description:
3-(1,1-Dimethylethyl)-4-methoxybenzoic acid, also known by its CAS number 66737-89-1, is an aromatic carboxylic acid characterized by the presence of a methoxy group and a tert-butyl substituent on the benzene ring. This compound typically exhibits a white to off-white crystalline solid form and is soluble in organic solvents, while showing limited solubility in water due to its hydrophobic tert-butyl group. The presence of the carboxylic acid functional group imparts acidic properties, allowing it to participate in various chemical reactions, such as esterification and amidation. Its methoxy group can influence the compound's reactivity and polarity, making it useful in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. Additionally, the steric hindrance introduced by the tert-butyl group can affect the compound's biological activity and interaction with other molecules. Overall, this compound is of interest in both industrial applications and research settings due to its unique structural features.
Formula:C12H16O3
InChI:InChI=1S/C12H16O3/c1-12(2,3)9-7-8(11(13)14)5-6-10(9)15-4/h5-7H,1-4H3,(H,13,14)
InChI key:InChIKey=WXQUGIVHDANZTM-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C1=C(OC)C=CC(C(O)=O)=C1
Synonyms:
  • 3-(1,1-Dimethylethyl)-4-methoxybenzoic acid
  • Benzoic acid, 3-(1,1-dimethylethyl)-4-methoxy-
  • 3-tert-Butyl-4-methoxybenzoic acid
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