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CAS 165950-04-9

:

2-Chloro-5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]benzoic acid

Description:
2-Chloro-5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]benzoic acid, with the CAS number 165950-04-9, is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety substituted with a chlorine atom and an amino group that is further modified by a dimethylethoxycarbonyl group. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its properties include being a solid at room temperature, with potential solubility in organic solvents depending on the specific conditions. The presence of the carboxylic acid functional group suggests it can participate in acid-base reactions, while the chloro and dimethylethoxycarbonyl substituents may influence its reactivity and stability. Additionally, the compound's structure indicates potential for hydrogen bonding and steric effects due to the bulky dimethylethoxy group, which can affect its interactions in biological systems or during chemical reactions. Safety and handling precautions should be observed, as with many chlorinated compounds.
Formula:C13H16ClNO4
InChI:InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)15-7-8-4-5-10(14)9(6-8)11(16)17/h4-6H,7H2,1-3H3,(H,15,18)(H,16,17)
InChI key:InChIKey=FKULUOQYTJAVOW-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=CC(CNC(OC(C)(C)C)=O)=CC=C1Cl
Synonyms:
  • 2-Chloro-5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]benzoic acid
  • 5-[[(tert-Butoxycarbonyl)amino]methyl]-2-chlorobenzoic acid
  • Benzoic acid, 2-chloro-5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-
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