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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

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Chemical structure C<sub>21</sub>H<sub>22</sub>N<sub>2</sub>

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Extracted from

Scheme 30

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₁H₂₂N₂
Molecular Weight	302.41 g/mol
Exact Mass	302.1783 Da
InChI	InChI=1S/C21H22N2/c1-7-18-12-16(9-14(3)20(18)22-5)11-17-10-15(4)21(23-6)19(8-2)13-17/h9-10,12-13H,7-8,11H2,1-4H3
InChIKey	GWWNQBUIMGCRSM-UHFFFAOYSA-N
SMILES	CCC1=CC(=CC(=C1[N+]#[C-])C)CC2=CC(=C(C(=C2)CC)[N+]#[C-])C
Number of Atoms	45
Number of H-Bond Acceptors	0
Number of H-Bond Donors	0
Atoms in the Largest π-System	8
XLogP	3.2

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