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CAS 98626-45-0

:

1-[(tert-Butyloxycarbonyl)methyl]-3-amino-2,3,4,5-tetrahydro-1H-[1]benzazepin-2-one

Description:
1-[(tert-Butyloxycarbonyl)methyl]-3-amino-2,3,4,5-tetrahydro-1H-[1]benzazepin-2-one is a chemical compound characterized by its complex structure, which includes a benzazepine core. This compound features a tert-butyloxycarbonyl (Boc) protecting group, commonly used in organic synthesis to protect amines during reactions. The presence of an amino group indicates potential reactivity, making it useful in various chemical transformations. The tetrahydro structure suggests that it is a saturated derivative, which may influence its physical properties, such as solubility and stability. The compound is likely to exhibit moderate polarity due to the combination of hydrophobic (tert-butyl) and hydrophilic (amino) functional groups. Its molecular structure may also confer specific biological activities, making it of interest in medicinal chemistry. Overall, this compound's unique characteristics stem from its functional groups and structural framework, which can be leveraged in synthetic applications or as a potential pharmaceutical agent.
Formula:C16H22N2O3
InChI:InChI=1S/C16H22N2O3/c1-16(2,3)21-14(19)10-18-13-7-5-4-6-11(13)8-9-12(17)15(18)20/h4-7,12H,8-10,17H2,1-3H3
InChI key:InChIKey=QTEDVVHLTMELTB-UHFFFAOYSA-N
SMILES:C(C(OC(C)(C)C)=O)N1C=2C(CCC(N)C1=O)=CC=CC2
Synonyms:
  • 1-[(tert-Butyloxycarbonyl)methyl]-3-amino-2,3,4,5-tetrahydro-1H-[1]benzazepin-2-one
  • 1H-1-Benzazepine-1-acetic acid, 3-amino-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester
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