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CAS 898404-64-3

:

Carbamic acid, N-[1-(4-bromophenyl)-3-hydroxypropyl]-, 1,1-dimethylethyl ester

Description:
Carbamic acid, N-[1-(4-bromophenyl)-3-hydroxypropyl]-, 1,1-dimethylethyl ester, identified by CAS number 898404-64-3, is an organic compound characterized by its carbamate functional group. This compound features a bromophenyl moiety, which contributes to its potential biological activity and lipophilicity. The presence of a hydroxypropyl chain suggests it may exhibit hydrogen bonding capabilities, influencing its solubility and reactivity. The tert-butyl ester group enhances its stability and may affect its pharmacokinetic properties, such as absorption and metabolism. Typically, carbamates are known for their applications in agriculture as pesticides and in medicinal chemistry for their role in drug design. The specific structural features of this compound may impart unique properties, making it of interest for further research in various fields, including medicinal chemistry and material science. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.
Formula:C14H20BrNO3
InChI:InChI=1S/C14H20BrNO3/c1-14(2,3)19-13(18)16-12(8-9-17)10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)
InChI key:InChIKey=UBCLDDKLEQYVPZ-UHFFFAOYSA-N
SMILES:C(NC(OC(C)(C)C)=O)(CCO)C1=CC=C(Br)C=C1
Synonyms:
  • 3-(Boc-amino)-3-(4-bromophenyl)-1-propanol
  • [1-(4-Bromo-phenyl)-3-hydroxy-propyl]-carbamic acid tert-butyl ester
  • Carbamic acid, N-[1-(4-bromophenyl)-3-hydroxypropyl]-, 1,1-dimethylethyl ester
  • tert-Butyl (1-(4-bromophenyl)-3-hydroxypropyl)carbamate
  • [1-(4-Bromophenyl)-3-hydroxypropyl]carbamic acid-tert-butyl ester
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