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CAS 131206-61-6

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Benzoic acid, 3-azido-4-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl]-, (E)-

Description:
Benzoic acid, 3-azido-4-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl]-, (E)-, is a complex organic compound characterized by its azido functional group and a substituted naphthalene moiety. The presence of the azido group (-N3) indicates potential reactivity, particularly in click chemistry applications, where it can participate in cycloaddition reactions. The compound features a benzoic acid backbone, which contributes to its acidity and potential for forming salts or esters. The (E)- configuration suggests that the double bond in the propenyl side chain has a specific geometric arrangement, influencing its reactivity and interactions with other molecules. Additionally, the bulky tetrahydro-tetramethyl-naphthalene structure may impart unique steric and electronic properties, affecting solubility and biological activity. Overall, this compound's structural complexity and functional groups make it of interest in synthetic organic chemistry and potentially in medicinal chemistry for developing new therapeutic agents.
Formula:C24H27N3O2
InChI:InChI=1S/C24H27N3O2/c1-15(12-17-6-7-18(22(28)29)14-21(17)26-27-25)16-8-9-19-20(13-16)24(4,5)11-10-23(19,2)3/h6-9,12-14H,10-11H2,1-5H3,(H,28,29)/b15-12+
InChI key:InChIKey=BFJIRSSLRJYNHN-NTCAYCPXSA-N
SMILES:CC1(C)C=2C(C(C)(C)CC1)=CC=C(\C(=C\C3=C(N=[N+]=[N-])C=C(C(O)=O)C=C3)\C)C2
Synonyms:
  • Benzoic acid, 3-azido-4-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl]-, (E)-
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