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CAS 1198093-71-8

:

Methyl 3-amino-4-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]benzoate

Description:
Methyl 3-amino-4-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]benzoate, identified by its CAS number 1198093-71-8, is a chemical compound characterized by its complex structure, which includes an aromatic ring, amino groups, and an ester functional group. This compound typically exhibits properties associated with both amines and esters, such as potential solubility in polar solvents and the ability to participate in hydrogen bonding due to the presence of amino groups. The dimethylethoxycarbonyl moiety suggests that it may have protective or modifying functions in synthetic applications. Its molecular structure indicates potential biological activity, making it of interest in pharmaceutical research. The presence of multiple functional groups allows for various chemical reactions, including acylation and amination, which can be exploited in organic synthesis. Overall, this compound's characteristics make it a valuable candidate for further study in medicinal chemistry and related fields.
Formula:C15H23N3O4
InChI:InChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18-8-7-17-12-6-5-10(9-11(12)16)13(19)21-4/h5-6,9,17H,7-8,16H2,1-4H3,(H,18,20)
InChI key:InChIKey=WPRWSXROHOISAW-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(N)=C(NCCNC(OC(C)(C)C)=O)C=C1
Synonyms:
  • Benzoic acid, 3-amino-4-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]-, methyl ester
  • 3-Amino-4-(2-tert-butoxycarbonylamino-ethylamino)-benzoic acid methyl ester
  • Methyl 3-amino-4-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]benzoate
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