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CAS 479633-63-1

Chemistry, 7 End Use API, 56 Related Intermediates

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Also known as: 479633-63-1, 4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine, 4-chloro-7-(4-methylbenzenesulfonyl)-7h-pyrrolo[2,3-d]pyrimidine, 7h-pyrrolo[2,3-d]pyrimidine, 4-chloro-7-[(4-methylphenyl)sulfonyl]-, Tofacitinib impurity 09, Mfcd09907939

Molecular Formula

C₁₃H₁₀ClN₃O₂S

Molecular Weight

307.76 g/mol

InChI Key

BTOJSYRZQZOMOK-UHFFFAOYSA-N

1 2D Structure

CAS 479633-63-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine

2.1.2 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

2.1.3 InChI Key

BTOJSYRZQZOMOK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2N=CN=C3Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 479633-63-1

2. 4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine

3. 4-chloro-7-(4-methylbenzenesulfonyl)-7h-pyrrolo[2,3-d]pyrimidine

4. 7h-pyrrolo[2,3-d]pyrimidine, 4-chloro-7-[(4-methylphenyl)sulfonyl]-

5. Tofacitinib Impurity 09

6. Mfcd09907939

7. 4-chloro-7-[(4-methylphenyl)sulfonyl]-7h-pyrrolo[2,3-d]pyrimidine

8. 4-chloro-7-[(4-methylbenzene)sulfonyl]-7h-pyrrolo[2,3-d]pyrimidine

9. Oxalylbromide

10. Tofacitinib Impurity R

11. 4-chloro-7-(p-tolylsulfonyl)pyrrolo[2,3-d]pyrimidine

12. Schembl1356181

13. Dtxsid00657957

14. 4-chloro-7-(toluene-4-sulfonyl)-7h-pyrrolo[2,3-d]pyrimidine

15. Bcp10944

16. Cs-b0636

17. 7h-pyrrolo[2,3-d]pyrimidine,4-chloro-7-[(4-methylphenyl)sulfonyl]-

18. Ab3582

19. Zinc36377905

20. Akos015850477

21. Ccg-277881

22. Ne-0001

23. Pb32814

24. Ac-27053

25. Sy024673

26. Db-070899

27. Am20040542

28. Ft-0647139

29. Chloro-7-tosyl-7h-pyrrolo[2,3-d]pyrimidine

30. 4-chloro-7-[(4-methylphenyl)sulfonyl]-

31. 4-chloro-7-tosyl-7h-pyrrolo[2,3-d]pyrimidine?

32. A827409

33. W-202839

34. 4-chloro-7-(toluene-4-sulfonyl)-7h-pyrrolo[2,3-d]

35. 4-chloro-7-tosyl-7h-pyrrolo[2,3-d]pyrimidine, Aldrichcpr

36. 4-chloro-7-(p-toluenesulfonyl)-7h-pyrrolo[2,3-d]pyrimidine

37. 4-chloranyl-7-(4-methylphenyl)sulfonyl-pyrrolo[2,3-d]pyrimidine

38. 4-chloro-7-(4-methyl-benzenesulfonyl)-7h-pyrrolo[2,3-d]pyrimidine

39. 4-chloro-7-(4-methylbenzenesulphonyl)-7h-pyrrolo[2,3-d]pyrimidine

40. 4-chloro-7-p-toluenesulphonyl-7h-pyrrolo[2,3-d]pyrimidine

41. 4-chloro-7-(4-methylbenzene-1-sulfonyl)-7h-pyrrolo[2,3-d]pyrimidine

2.3 Create Date

2009-10-14

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₀ClN₃O₂S
Molecular Weight	307.76 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	307.0182254 g/mol
Monoisotopic Mass	307.0182254 g/mol
Topological Polar Surface Area	73.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	445
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

477600-74-1

End Use API

Tofacitinib Citrate

About the Company

VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers wit...

VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers with the highest quality SFC and HPLC purification and isolation solutions that market has to offer. With our 25 years of HPLC experience, we are able to provide variety of products with custom tailored answers for even most difficult separations. Our team of professional Chromatographers is available to assist in HPLC and SFC methods development solutions. Here at VIDGAS we are constantly innovating and pursuing the limits of HPLC and SFC.

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