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CAS 1017789-39-7

:

Phenylmethyl 4-chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoate

Description:
Phenylmethyl 4-chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoate, identified by its CAS number 1017789-39-7, is a synthetic organic compound characterized by its complex structure, which includes a phenylmethyl group, a chloro substituent, and an amino acid derivative. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential reactivity and solubility characteristics. The presence of the chloro group suggests it may participate in nucleophilic substitution reactions, while the dimethylethoxycarbonyl moiety indicates potential for further functionalization. Its molecular structure implies it may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of the amino acid-like structure. Additionally, the compound's stability and reactivity can be influenced by environmental factors such as pH and temperature, making it important to consider these conditions in practical applications. Overall, this compound represents a unique combination of functional groups that may lend itself to various chemical transformations and applications in research and industry.
Formula:C21H24ClNO4
InChI:InChI=1S/C21H24ClNO4/c1-21(2,3)27-20(25)23-18(16-9-11-17(22)12-10-16)13-19(24)26-14-15-7-5-4-6-8-15/h4-12,18H,13-14H2,1-3H3,(H,23,25)
InChI key:InChIKey=PZRMZYBRURTRTJ-UHFFFAOYSA-N
SMILES:C(CC(OCC1=CC=CC=C1)=O)(NC(OC(C)(C)C)=O)C2=CC=C(Cl)C=C2
Synonyms:
  • Benzenepropanoic acid, 4-chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, phenylmethyl ester
  • Phenylmethyl 4-chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoate
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