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CAS 253677-29-1

:

2-[(tert-Butoxycarbonyl)amino]-5-chlorobenzoic acid

Description:
2-[(tert-Butoxycarbonyl)amino]-5-chlorobenzoic acid, with the CAS number 253677-29-1, is an organic compound characterized by its benzoic acid structure substituted with a chlorobenzene ring and a tert-butoxycarbonyl (Boc) amino 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 has 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 where selective deprotection is required. The chlorine substituent at the 5-position of the benzoic acid enhances the compound's reactivity and can influence its biological activity. Additionally, the compound may exhibit properties such as moderate acidity due to the carboxylic acid group, which can participate in hydrogen bonding and ionic interactions. Overall, this compound is valuable in medicinal chemistry and synthetic organic chemistry for its functional groups and structural features.
Formula:C12H14ClNO4
InChI:InChI=1/C12H14ClNO4/c1-12(2,3)18-11(17)14-9-5-4-7(13)6-8(9)10(15)16/h4-6H,1-3H3,(H,14,17)(H,15,16)
SMILES:CC(C)(C)OC(=Nc1ccc(cc1C(=O)O)Cl)O
Synonyms:
  • Benzoic Acid, 5-Chloro-2-[[(1,1-Dimethylethoxy)Carbonyl]Amino]-
  • 2-tert-Butoxycarbonylamino-5-chloro benzoic acid
  • 2-tert-Butoxycarbonylamino-5-chloro lbenzoic acid
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