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 | C22H32O3 |
| Molecular Weight | 344.49 g/mol |
| Exact Mass | 344.2351 Da |
| InChI |
InChI=1S/C22H32O3/c1-13-15-7-10-24-18(15)12-17-16(13)11-19(25-14(2)23)20-21(3,4)8-6-9-22(17,20)5/h7,10,13,16-17,19-20H,6,8-9,11-12H2,1-5H3/t13-,16?,17?,19+,20?,22+/m0/s1
|
| InChIKey |
RTHBKQKTWBMPLC-MGCUOBRYSA-N
|
| SMILES |
C[C@H]1C2=C(CC3C1C[C@H](C4[C@](C)(C)CCC[C@]34C)OC(=O)C)OC=C2
|
| Number of Atoms | 57 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 5 |
| XLogP | 5.8 |
