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1187594-13-3

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1187594-13-3 Structure

1187594-13-3 Structure
IdentificationBack Directory
[Name]

2-(1-(ethylsulfonyl)-3-(4-(7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)azetidin-3-yl)acetonitrile
[CAS]

1187594-13-3
[Synonyms]

Barretinib intermediate 2
2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)azetidin-3-yl)acetonitrile
2-[1-ethanesulfonyl-3-[4-(7-[(2-(trimethylsilyl)ethoxy)methyl]-7H-pyrrolo[2,3-d]pyrimidine-4-yl)-1H-yl]azetidin-3-yl]acetonitrile
3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-[4-[7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazol-1-yl]-
2-(1-(ethylsulfonyl)-3-(4-(7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)azetidin-3-yl)acetonitrile
2-[1-ethanesulfonyl-3-[4-(7-[(2-(trimethylsilyl)ethoxy)methyl]-7H-pyrrolo[2,3-d]pyrimidine-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl]acetonitrile
[Molecular Formula]

C22H31N7O3SSi
[MDL Number]

MFCD33551930
[MOL File]

1187594-13-3.mol
[Molecular Weight]

501.68
Chemical PropertiesBack Directory
[Boiling point ]

696.8±65.0 °C(Predicted)
[density ]

1.30±0.1 g/cm3(Predicted)
[pka]

3.70±0.30(Predicted)
[InChIKey]

WUWJJJDMZWZKQS-UHFFFAOYSA-N
[SMILES]

N1(S(CC)(=O)=O)CC(N2C=C(C3N=CN=C4N(COCC[Si](C)(C)C)C=CC4=3)C=N2)(CC#N)C1
Hazard InformationBack Directory
[Uses]

2-(1-(ethylsulfonyl)-3-(4-(7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d] pyrimidin-4-yl)-1H-pyrazol-1-yl)azetidin-3-yl)acetonitrile is a reference standard for the impurity of Baricitinib, used for the registration and quality control of related drugs.
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