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CAS 153074-91-0

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4-(BOC-AMIDINO)-BENZOIC ACID

Description:
4-(BOC-AMIDINO)-BENZOIC ACID, with the CAS number 153074-91-0, is a chemical compound characterized by its amidino and carboxylic acid functional groups. The BOC (tert-butyloxycarbonyl) group serves as a protective group for the amine, enhancing the compound's stability and solubility in organic solvents. This compound typically appears as a white to off-white solid and is soluble in polar organic solvents. Its structure features a benzoic acid moiety, which contributes to its acidity and potential reactivity in various chemical reactions. The amidino group can participate in hydrogen bonding and may influence the compound's biological activity, making it of interest in medicinal chemistry. Additionally, the presence of the BOC group allows for further functionalization or deprotection in synthetic pathways. Overall, 4-(BOC-AMIDINO)-BENZOIC ACID is a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals.
Formula:C13H16N2O4
InChI:InChI=1/C13H16N2O4/c1-13(2,3)19-12(18)15-10(14)8-4-6-9(7-5-8)11(16)17/h4-7H,1-3H3,(H,16,17)(H2,14,15,18)
SMILES:CC(C)(C)OC(=O)N=C(c1ccc(cc1)C(=O)O)N
Synonyms:
  • 4-[N-(tert-Butoxycarbonyl)carbamimidoyl]benzoic acid
  • Benzoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]iminomethyl]-
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