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| IUPAC Name: | tert-butyl 3-(cyanomethylidene)azetidine-1-carboxylate |
| Description: | 1-Boc-3-(cyanomethylene)azetidine (CAS# 1153949-11-1) is used in the synthesis of baricitinib via Horner-Emmons reaction of tert-butyl-oxoazetidine-carboxylate followed by sulfonamidation, nucleophilic addition. and subsequent Suzuki-coupling reaction. |
| Molecular Weight: | 194.23 |
| Molecular Formula: | C10H14N2O2 |
| Canonical SMILES: | CC(C)(C)OC(=O)N1CC(=CC#N)C1 |
| InChI: | InChI=1S/C10H14N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)4-5-11/h4H,6-7H2,1-3H3 |
| InChI Key: | BESFCRTTXQYNBW-UHFFFAOYSA-N |
| Storage: | Inert atmosphere, 2-8 °C |
| LogP: | 1.62498 |
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Azetidines
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