Beijing Mesochem Technology

CAS 519032-08-7

Chemistry, 2 End Use API, 15 Related Intermediates

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Also known as: 519032-08-7, Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate, Methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5,6-dihydroxypyrimidine-4-carboxylate, Methyl 2-(1-{[(benzyloxy)carbonyl]amino}-1-methylethyl)-5,6-dihydroxypyrimidine-4-carboxylate, 4-pyrimidinecarboxylic acid, 1,6-dihydro-5-hydroxy-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-, methyl ester, Methyl 5-hydroxy-4-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1h-pyrimidine-6-carboxylate

Molecular Formula

C₁₇H₁₉N₃O₆

Molecular Weight

361.3 g/mol

InChI Key

NIVUTAZNLHLBAN-UHFFFAOYSA-N

1 2D Structure

CAS 519032-08-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 5-hydroxy-6-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1H-pyrimidine-4-carboxylate

2.1.2 InChI

InChI=1S/C17H19N3O6/c1-17(2,20-16(24)26-9-10-7-5-4-6-8-10)15-18-11(14(23)25-3)12(21)13(22)19-15/h4-8,21H,9H2,1-3H3,(H,20,24)(H,18,19,22)

2.1.3 InChI Key

NIVUTAZNLHLBAN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)OC)NC(=O)OCC2=CC=CC=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 519032-08-7

2. Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate

3. Methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5,6-dihydroxypyrimidine-4-carboxylate

4. Methyl 2-(1-{[(benzyloxy)carbonyl]amino}-1-methylethyl)-5,6-dihydroxypyrimidine-4-carboxylate

5. 4-pyrimidinecarboxylic Acid, 1,6-dihydro-5-hydroxy-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-, Methyl Ester

6. Methyl 5-hydroxy-4-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1h-pyrimidine-6-carboxylate

7. 1,6-dihydro-5-hydroxy-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic Acid

8. 1,6-dihydro-5-hydroxy-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic Acid Methyl Ester

9. Methyl 5-hydroxy-6-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1h-pyrimidine-4-carboxylate

10. Methyl 2-(1-{[(benzyloxy) Carbonyl] Amino}-1-methylethyl)-5,6-dihydroxypyrimidine-4-carboxylate

11. Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5,6-dihydroxypyrimidine-4-carboxylate

12. Schembl1150858

13. Schembl8267930

14. Ammd00037

15. Dtxsid10715719

16. Bcp12474

17. Mfcd12026362

18. Zinc21299554

19. Akos015839286

20. Akos015899186

21. Am85801

22. Cs-w000544

23. Ne-0215

24. Sb55526

25. 1100750-73-9

26. Ac-25866

27. Db-059966

28. Ft-0666997

29. Ft-0773639

30. 032p087

31. J-521800

32. Methyl 2-(2-(((benzyloxy)(hydroxy)methylene)amino)propan-2-yl)-5,6-dihydroxypyrimidine-4-carboxylate

33. Methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5-hydroxy- 6-oxo-1,6-dihydropyrimidine-4-carboxylate

34. Methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5-hydroxy-6-oxo-3,6-dihydropyrimidine-4-carboxylate

35. Methyl2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate

2.3 Create Date

2019-01-15

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₉N₃O₆
Molecular Weight	361.3 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	361.12738533 g/mol
Monoisotopic Mass	361.12738533 g/mol
Topological Polar Surface Area	126 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	647
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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1,6-Dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylm...

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CAS Number

CAS-888504-27-6

End Use API

Raltegravir Potassium

About the Company

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.

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