| Identification | Back Directory | [Name]
1-Boc-3-(cyanomethylene)azetidine | [CAS]
1153949-11-1 | [Synonyms]
Baricitinib-013
Baricitinib Impurity 10
tert-Butyl 3-(cyanomethylene)
1-Boc-3-(cyanomethylene)azetidine
P-Hydroxy phenyl butanone (Raspberry ketone)
benzyl 3-(cyanomethylene)azetidine-1-carboxylate
1-(tert-Butoxycarbonyl)-3-(cyanomethylene)azetidine
tert-butyl 3-(cyanoMethylene)azetidine-1-carboxylate
tert-butyl 3-(cyanoMethylidene)azetidine-1-carboxylate
1-(tert-Butoxycarbonyl)-3-(cyanomethylene)azetidine
3-Cyanomethylene-azetidine-1-carboxylic acid tert-butyl ester
3-(Cyanomethylene)-1-azetidinecarboxylic acid tert-butyl ester
1-Azetidinecarboxylic acid, 3-(cyanomethylene)-, 1,1-dimethylethyl ester | [Molecular Formula]
C10H14N2O2 | [MDL Number]
MFCD12761241 | [MOL File]
1153949-11-1.mol | [Molecular Weight]
194.23 |
| Chemical Properties | Back Directory | [Boiling point ]
309.7±35.0 °C(Predicted) | [density ]
1.215 | [storage temp. ]
Inert atmosphere,2-8°C | [form ]
powder to crystal | [pka]
-1.88±0.20(Predicted) | [color ]
White to Orange to Green | [InChI]
InChI=1S/C10H14N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)4-5-11/h4H,6-7H2,1-3H3 | [InChIKey]
BESFCRTTXQYNBW-UHFFFAOYSA-N | [SMILES]
N1(C(OC(C)(C)C)=O)C/C(=C\C#N)/C1 |
| Questions And Answer | Back Directory | [Uses]
1-(tert-Butoxycarbonyl)-3-(cyanomethylene)azetidine 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. |
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