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ChemicalBook--->CAS DataBase List--->1201187-44-1

1201187-44-1

1201187-44-1 Structure

1201187-44-1 Structure
IdentificationBack Directory
[Name]

tert-butyl 5-tosyl-5H-pyrrolo[2,3-b]pyrazin-2-ylcarbamate
[CAS]

1201187-44-1
[Synonyms]

Upadacitinib intermediate2
Intermediate of Upadacitinib (ABT-494)
2-(Boc-amino)-5-tosyl-5H-pyrrolo[2,3-b]pyrazine
tert-butyl 5-tosyl-5H-pyrrolo[2,3-b]pyrazin-2-ylcarbamate
tert-butyl (5-(p-toluenesulfonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl)carbamate
tert-butyl N-[5-(4-methylbenzenesulfonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]carbamate
2-Methyl-2-propanyl {5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl}carbamate
Carbamic acid, N-?[5-?[(4-?methylphenyl)?sulfonyl]?-?5H-?pyrrolo[2,?3-?b]?pyrazin-?2-?yl]?-?, 1,?1-?dimethylethyl ester
[Molecular Formula]

C18H20N4O4S
[MDL Number]

MFCD28129728
[MOL File]

1201187-44-1.mol
[Molecular Weight]

388.44
Chemical PropertiesBack Directory
[density ]

1.35±0.1 g/cm3(Predicted)
[pka]

9.45±0.43(Predicted)
[InChI]

InChI=1S/C18H20N4O4S/c1-12-5-7-13(8-6-12)27(24,25)22-10-9-14-16(22)19-11-15(20-14)21-17(23)26-18(2,3)4/h5-11H,1-4H3,(H,20,21,23)
[InChIKey]

NTMJGYRFMXFNIC-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)NC1=CN=C2N(S(C3=CC=C(C)C=C3)(=O)=O)C=CC2=N1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H317
[Precautionary statements ]

P280
Hazard InformationBack Directory
[Uses]

tert-Butyl N-[5-(4-methylbenzenesulfonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]carbamate is a reagent in the synthetic preparation of tricyclic heterocycles and their kinase inhibitory activity. Preparation of novel nitrogen-containing tricyclic compounds as kinase inhibitors for treating immunological and oncological conditions.
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