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 C4H5N3
Molecular Weight 95.10 g/mol
Exact Mass 95.0483 Da
InChI
InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)
InChIKey
LJXQPZWIHJMPQQ-UHFFFAOYSA-N
SMILES
C1=CN=C(N)N=C1
Number of Atoms 12
Number of H-Bond Acceptors 3
Number of H-Bond Donors 1
Atoms in the Largest π-System 7
XLogP -1.2
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