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 C6H6O3
Molecular Weight 126.11 g/mol
Exact Mass 126.0317 Da
InChI
InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2
InChIKey
NOEGNKMFWQHSLB-UHFFFAOYSA-N
SMILES
C1=C(C=O)OC(=C1)CO
Number of Atoms 15
Number of H-Bond Acceptors 3
Number of H-Bond Donors 1
Atoms in the Largest π-System 7
XLogP -0.4
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