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CAS 1005397-66-9

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rel-1,1-Dimethylethyl (2R,6R)-3,6-dihydro-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridinecarboxylate

Description:
The chemical substance known as rel-1,1-Dimethylethyl (2R,6R)-3,6-dihydro-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridinecarboxylate, with CAS number 1005397-66-9, is a complex organic compound characterized by its unique structural features. It contains a pyridine ring, which is a six-membered aromatic ring with nitrogen, and is substituted with various functional groups, including a carboxylate ester and a boron-containing moiety. The presence of the dioxaborolane group suggests potential applications in organoboron chemistry, particularly in cross-coupling reactions. The stereochemistry indicated by the (2R,6R) configuration implies specific spatial arrangements of substituents, which can influence the compound's reactivity and interactions. Additionally, the presence of dimethyl and tert-butyl groups contributes to its steric bulk, potentially affecting solubility and biological activity. Overall, this compound may be of interest in synthetic organic chemistry and medicinal chemistry due to its structural complexity and functional diversity.
Formula:C18H32BNO4
InChI:InChI=1/C18H32BNO4/c1-12-10-14(19-23-17(6,7)18(8,9)24-19)11-13(2)20(12)15(21)22-16(3,4)5/h10,12-13H,11H2,1-9H3/t12-,13-/s2
InChI key:InChIKey=AIOICASRSMDUDR-NVHKGDCHNA-N
SMILES:CC1(C)OB(OC1(C)C)C=2C[C@H](C)N(C(OC(C)(C)C)=O)[C@@H](C)C2
Synonyms:
  • 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester, (2R,6R)-rel-
  • rel-1,1-Dimethylethyl (2R,6R)-3,6-dihydro-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridinecarboxylate
  • trans-2,6-Dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
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