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ChemicalBook--->CAS DataBase List--->479633-63-1

479633-63-1

479633-63-1 Structure

479633-63-1 Structure
IdentificationBack Directory
[Name]

4-CHLORO-7-TOSYL-7H-PYRROLO[2,3-D]PYRIMIDINE
[CAS]

479633-63-1
[Synonyms]

Tofacitinib-9
Tofacitinib imurity
Tofacitinib Impurity R
Tofacitinib Impurity 53
Tofacitinib Impurity 20
4-Chloro-7-tosyl-7H-pyrro...
4-Chloro-7-tosyl-7H-pyrrolo[2
4-CHLORO-7-TOSYL-7H-PYRROLO[2,3-D]PYRIMIDINE
4-Chloro-7-(p-tolylsulfonyl)pyrrolo[2,3-d]pyrimidine
4-Chloro-7-p-toluenesulphonyl-7H-pyrrolo[2,3-d]pyrimidine
4-Chloro-7-(p-toluenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine
4-Chloro-7-(toluene-4-sulfonyl)-7H-pyrrolo[2,3-d]pyrimidine
4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
4-Chloro-7-(p-toluenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine >
4-Chloro-7-[(4-methylbenzene)sulfonyl]pyrrolo[2,3-d]pyrimidine
4-CHLORO-7-[(4-METHYLPHENYL)SULFONYL]-7H-PYRROLO[2,3-D]PYRIMIDINE
4-Chloro-7-[(4-methylbenzene)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine
7H-Pyrrolo[2,3-D]pyriMidine,4-chloro-7-[(4-Methylphenyl)sulfonyl]-
3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-2-yl) amino)piperidin-1-yl)-3-oxopropanenitrile
[EINECS(EC#)]

811-000-2
[Molecular Formula]

C13H10ClN3O2S
[MDL Number]

MFCD09907939
[MOL File]

479633-63-1.mol
[Molecular Weight]

307.76
Chemical PropertiesBack Directory
[Melting point ]

145.0 to 149.0 °C
[Boiling point ]

505.3±60.0 °C(Predicted)
[density ]

1.49
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), DMSO (Slightly)
[form ]

powder to crystal
[pka]

1.73±0.30(Predicted)
[color ]

White to Orange to Green
[InChI]

InChI=1S/C13H10ClN3O2S/c1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-12(14)15-8-16-13(11)17/h2-8H,1H3
[InChIKey]

BTOJSYRZQZOMOK-UHFFFAOYSA-N
[SMILES]

C1=NC(Cl)=C2C=CN(S(C3=CC=C(C)C=C3)(=O)=O)C2=N1
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[HazardClass ]

IRRITANT
[HS Code ]

2933599590
Hazard InformationBack Directory
[Uses]

4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine is a reagent in the synthesis of (+)-tofacitinib, a selective Janus kinase 3 inhibitor (JAK3) and an immunosuppressant drug.
Spectrum DetailBack Directory
[Spectrum Detail]

4-CHLORO-7-TOSYL-7H-PYRROLO[2,3-D]PYRIMIDINE(479633-63-1)1HNMR
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