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CAS 886366-55-8

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Methyl 3-chloro-α-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]benzenepropanoate

Description:
Methyl 3-chloro-α-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]benzenepropanoate, identified by its CAS number 886366-55-8, is a synthetic organic compound characterized by its complex structure, which includes a chloro group, an amino group, and an ester functional group. This compound typically exhibits moderate to high lipophilicity due to the presence of the bulky 1,1-dimethylethoxy group, which can influence its solubility in organic solvents. The chloro substituent may impart unique reactivity, making it a potential candidate for further chemical transformations. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, where the amino and ester functionalities can be pivotal for biological activity. Additionally, the compound's stability and reactivity can be influenced by environmental factors such as pH and temperature. Overall, Methyl 3-chloro-α-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]benzenepropanoate represents a versatile building block in organic synthesis and drug development.
Formula:C16H22ClNO4
InChI:InChI=1S/C16H22ClNO4/c1-16(2,3)22-15(20)18-10-12(14(19)21-4)8-11-6-5-7-13(17)9-11/h5-7,9,12H,8,10H2,1-4H3,(H,18,20)
InChI key:InChIKey=ZQIIKXXVNXPXKM-UHFFFAOYSA-N
SMILES:C(CC1=CC(Cl)=CC=C1)(CNC(OC(C)(C)C)=O)C(OC)=O
Synonyms:
  • Benzenepropanoic acid, 3-chloro-α-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, methyl ester
  • Methyl 3-chloro-α-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]benzenepropanoate
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