CAS 519032-08-7

Chemistry, 3 End Use API, 16 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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Jinan Chenghui Shuangda Chemical

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4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1...

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CAS Number

519032-08-7

End Use API

Raltegravir Potassium

About the Company

Jinan Chenghui Shuangda Chemical Co., Ltd is subordinate to Chengchuang Pharmaceutical Group, which is fo...

Jinan Chenghui Shuangda Chemical Co., Ltd is subordinate to Chengchuang Pharmaceutical Group, which is formally established in March, 2002. It is a high-tech enterprise professionally producing pharmaceutical intermediates and fine chemical products inland. The company is located in Chengchuang industrial park, high-tech development district, Ji’nan, the capital city of Shandong Province. It is 1km far from Longitude Ten Road which is the main road of Jinan city, 5km from high way surrounding Ji’nan city and 25km from Yaoqiang airport in Ji’nan. It has superior geographic location and the traffic is very convenient.

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Octane Laboratories

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Methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydr...

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CAS Number

519032-08-7

End Use API

Raltegravir Potassium

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OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

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Saintsun Pharma

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Methyl 2-(2-(benzyloxycarbonylamino) propan-2-yl)-5-hy...

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CAS Number

519032-08-7

End Use API

Raltegravir Potassium

About the Company

SAINTSUN PHARMA, we are engaging mainly in the manufacturing and distributing APIs, Pharmaceutical Interm...

SAINTSUN PHARMA, we are engaging mainly in the manufacturing and distributing APIs, Pharmaceutical Intermediates, Chemicals, Formulations, Medical supplies, etc... With a self-owned brand of "SAINTSUN PHARMA", after more than 12 years efforts, our products are successfully expanded to different continents like Asia, South America, Africa more than 35 countries and regions.

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