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ChemicalBook--->CAS DataBase List--->1153949-11-1

1153949-11-1

1153949-11-1 Structure

1153949-11-1 Structure
IdentificationBack 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 PropertiesBack 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 AnswerBack 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.
Safety DataBack Directory
[RIDADR ]

UN 3439 6.1/PG III
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

1-Boc-3-(cyanomethylene)azetidine(1153949-11-1)1HNMR
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