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CAS 4318-56-3

Chemistry, 10 End Use API, 29 Related Intermediates

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Also known as: 4318-56-3, 6-chloro-3-methylpyrimidine-2,4(1h,3h)-dione, 3-methyl-6-chlorouracil, 6-chloro-3-methyl-1h-pyrimidine-2,4-dione, 2,4(1h,3h)-pyrimidinedione, 6-chloro-3-methyl-, 6-chloro-2-hydroxy-3-methyl-3,4-dihydropyrimidin-4-one

Molecular Formula

C₅H₅ClN₂O₂

Molecular Weight

160.56 g/mol

InChI Key

SGLXGFAZAARYJY-UHFFFAOYSA-N

FDA UNII

AYQ4JL346J

1 2D Structure

CAS 4318-56-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-chloro-3-methyl-1H-pyrimidine-2,4-dione

2.1.2 InChI

InChI=1S/C5H5ClN2O2/c1-8-4(9)2-3(6)7-5(8)10/h2H,1H3,(H,7,10)

2.1.3 InChI Key

SGLXGFAZAARYJY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C(=O)C=C(NC1=O)Cl

2.2 Other Identifiers

2.2.1 UNII

AYQ4JL346J

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 4318-56-3

2. 6-chloro-3-methylpyrimidine-2,4(1h,3h)-dione

3. 3-methyl-6-chlorouracil

4. 6-chloro-3-methyl-1h-pyrimidine-2,4-dione

5. 2,4(1h,3h)-pyrimidinedione, 6-chloro-3-methyl-

6. 6-chloro-2-hydroxy-3-methyl-3,4-dihydropyrimidin-4-one

7. Ayq4jl346j

8. 6-chloro-3-methyl-2,4(1h,3h)-pyrimidinedione

9. Mfcd01074837

10. Nsc-55976

11. 6-chloro-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

12. 6-chloro-3-methylpyrimidine-2,4[1h,3h]-dione

13. 3-methyl-6-chlorouraci

14. Nsc55976

15. Nsc 55976

16. 6-chloro-3-methyl Uracil

17. Unii-ayq4jl346j

18. Mls000723901

19. Schembl220198

20. Uracil, 6-chloro-3-methyl-

21. Chembl1556752

22. Schembl21653786

23. Dtxsid00195763

24. Chebi:189258

25. Hms2629j15

26. Act05831

27. Albb-012145

28. Bcp27871

29. 6-chloro-3-methyluracil, >=98%

30. Geo-00748

31. Mfcd00829289

32. Stk177274

33. Zinc18272301

34. Akos000264936

35. Ac-8826

36. Cs-w020095

37. Ms-1869

38. Sb37175

39. Ncgc00245854-01

40. Smr000305496

41. Sy002003

42. Db-026388

43. Am20100138

44. Ft-0621044

45. F11245

46. 6-chloro-3-methyluracil;3-methyl-6-chlorouracil

47. 318c563

48. 6-chloro-2-hydroxy-3-methylpyrimidin-4(3h)-one

49. Ab-323/25048121

50. 6-chloro-3-methyl-2,4(1h,3h)-pyrimidinedione #

51. W-202755

52. F8885-4682

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₅ClN₂O₂
Molecular Weight	160.56 g/mol
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	160.0039551 g/mol
Monoisotopic Mass	160.0039551 g/mol
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	224
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

4318-56-3

End Use API

Alogliptin Benzoate

About the Company

Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary locat...

Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.

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