The Groebke–Blackburn–Bienaymé reaction in its maturity: innovation and improvements since its 21st birthday (2019–2023)

Cristina Martini, Muhammad Idham Darussalam Mardjan and Andrea Basso
Beilstein J. Org. Chem. 2024, 20, 1839–1879. https://doi.org/10.3762/bjoc.20.162

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula C17H19N5
Molecular Weight 293.37 g/mol
Exact Mass 293.1640 Da
InChI
InChI=1S/C17H19N5/c1-2-4-14(5-3-1)20-17-16(13-6-8-18-9-7-13)21-15-12-19-10-11-22(15)17/h6-12,14,20H,1-5H2
InChIKey
KGLOIHXSCBGISH-UHFFFAOYSA-N
SMILES
C1CCC(CC1)NC2=C(C3=CC=NC=C3)N=C4C=NC=CN42
Number of Atoms 41
Number of H-Bond Acceptors 5
Number of H-Bond Donors 1
Atoms in the Largest π-System 16
XLogP 1.9
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