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CAS 669713-59-1

:

2-[(tert-butoxycarbonyl)amino]-3-methylbenzoic acid

Description:
2-[(tert-butoxycarbonyl)amino]-3-methylbenzoic acid, with the CAS number 669713-59-1, is an organic compound characterized by its structure, which includes a benzoic acid moiety substituted with a tert-butoxycarbonyl (Boc) group and a methyl group. This compound typically appears as a white to off-white solid and is soluble in organic solvents such as dichloromethane and dimethyl sulfoxide, but may have limited solubility in water. The presence of the Boc group provides protection for the amino functionality, making it useful in peptide synthesis and other organic reactions. The methyl group at the 3-position of the benzoic acid ring contributes to its hydrophobic character, influencing its reactivity and interactions in biological systems. As a carboxylic acid, it can participate in acid-base reactions, and its amino group can engage in nucleophilic attacks, making it versatile in synthetic chemistry. Overall, this compound is significant in medicinal chemistry and organic synthesis due to its functional groups and structural features.
Formula:C13H17NO4
InChI:InChI=1/C13H17NO4/c1-8-6-5-7-9(11(15)16)10(8)14-12(17)18-13(2,3)4/h5-7H,1-4H3,(H,14,17)(H,15,16)
SMILES:Cc1cccc(c1N=C(O)OC(C)(C)C)C(=O)O
Synonyms:
  • Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl-
  • 2-tert-Butoxycarbonylamino-3-methylbenzoic acid
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