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CAS 1850305-80-4

:

Carbamic acid, N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-, 1,1-dimethylethyl ester

Description:
Carbamic acid, N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-, 1,1-dimethylethyl ester, identified by CAS number 1850305-80-4, is a chemical compound that features a carbamate functional group. This compound is characterized by the presence of a boron-containing moiety, specifically a dioxaborolane, which contributes to its unique reactivity and potential applications in organic synthesis and medicinal chemistry. The structure includes a propyl chain linked to the carbamic acid, enhancing its solubility and stability. The presence of the tert-butyl ester group suggests that it may exhibit favorable properties such as increased lipophilicity and improved bioavailability. Additionally, the tetramethyl groups in the dioxaborolane provide steric hindrance, which can influence the compound's reactivity and interactions with biological targets. Overall, this compound may be of interest in the development of pharmaceuticals or agrochemicals, particularly due to its potential for selective reactivity and functionalization in synthetic pathways.
Formula:C14H28BNO4
InChI:InChI=1S/C14H28BNO4/c1-12(2,3)18-11(17)16-10-8-9-15-19-13(4,5)14(6,7)20-15/h8-10H2,1-7H3,(H,16,17)
InChI key:InChIKey=MQRYONXVKZQEAC-UHFFFAOYSA-N
SMILES:C(CCNC(OC(C)(C)C)=O)B1OC(C)(C)C(C)(C)O1
Synonyms:
  • Carbamic acid, N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-, 1,1-dimethylethyl ester
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