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CAS 669713-60-4

:

2-[(tert-butoxycarbonyl)amino]-5-methylbenzoic acid

Description:
2-[(tert-Butoxycarbonyl)amino]-5-methylbenzoic acid, with the CAS number 669713-60-4, 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 due to its hydrophobic characteristics. The presence of the Boc group makes it a useful intermediate in organic synthesis, particularly in peptide synthesis, as it can be easily removed under mild acidic conditions. The methyl group at the 5-position of the benzoic acid ring can influence the compound's reactivity and sterics, making it a valuable building block in medicinal chemistry and drug development. Additionally, the compound may exhibit specific biological activities, although detailed studies would be necessary to elucidate its pharmacological properties.
Formula:C13H17NO4
InChI:InChI=1/C13H17NO4/c1-8-5-6-10(9(7-8)11(15)16)14-12(17)18-13(2,3)4/h5-7H,1-4H3,(H,14,17)(H,15,16)
InChI key:InChIKey=FQMHARFGTWUWNU-UHFFFAOYSA-N
SMILES:N(C(OC(C)(C)C)=O)C1=C(C(O)=O)C=C(C)C=C1
Synonyms:
  • 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-5-methylbenzoic acid
  • 2-[[(tert-Butoxy)carbonyl]amino]-5-methylbenzoic acid
  • Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-
  • 2-[(tert-Butoxycarbonyl)amino]-5-methylbenzoic acid
  • 2-((tert-Butoxycarbonyl)amino)-5-methylbenzoic acid
  • 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
  • 2-(Boc-amino)-5-methylbenzoic acid
  • N-BOC-5-METHYLANTHRANILIC ACID
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