CAS 160232-08-6

Chemistry, 1 End Use API, 33 Related Intermediates

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Also known as: 160232-08-6, Tert-butyl [(1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate, Tert-butyl n-[(2s,3r)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate, Tert-butyl ((2s,3r)-3-hydroxy-4-((2-methylpropyl)amino)-1-phenylbutan-2-yl)carbamate, Tert-butyl {(2s,3r)-3-hydroxy-4-[(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Tert-butyl (2s,3r)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-ylcarbamate

Molecular Formula

C₁₉H₃₂N₂O₃

Molecular Weight

336.5 g/mol

InChI Key

NVEPLQDORJSXRO-DLBZAZTESA-N

1 2D Structure

CAS 160232-08-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate

2.1.2 InChI

InChI=1S/C19H32N2O3/c1-14(2)12-20-13-17(22)16(11-15-9-7-6-8-10-15)21-18(23)24-19(3,4)5/h6-10,14,16-17,20,22H,11-13H2,1-5H3,(H,21,23)/t16-,17+/m0/s1

2.1.3 InChI Key

NVEPLQDORJSXRO-DLBZAZTESA-N

2.1.4 Canonical SMILES

CC(C)CNCC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O

2.1.5 Isomeric SMILES

CC(C)CNC[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 160232-08-6

2. Tert-butyl [(1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate

3. Tert-butyl N-[(2s,3r)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate

4. Tert-butyl ((2s,3r)-3-hydroxy-4-((2-methylpropyl)amino)-1-phenylbutan-2-yl)carbamate

5. Tert-butyl {(2s,3r)-3-hydroxy-4-[(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate

6. Tert-butyl (2s,3r)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-ylcarbamate

7. (2r,3s)-3-(boc-amino)-1-(isobutylamino)-4-phenyl-2-butanol

8. Mfcd15144668

9. Tert-butyl [(2s,3r)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl]carbamate

10. Ec 605-203-3

11. Schembl1104912

12. Amy4348

13. Dtxsid10432611

14. Zinc22053590

15. Akos015895860

16. Tert-butyl((2s,3r)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl)carbamate

17. Cs-w006450

18. Ds-3963

19. Ac-28968

20. Carbamic Acid, N-[(1s,2r)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl Ester

21. B6183

22. J-009696

23. J-524379

24. T-butyl ((2s,3r)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl)carbamate

25. Tert-butyl (1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propylcarbamate

26. Tert-butyl(1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propylcarbamate

27. Tert-butyl[(1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate

28. (1s,2r)-(1-benzyl-2-hydroxy-3-isobutylamino-propyl)-carbamic Acid Tert-butyl Ester

29. (1s,2r)-tert-butyl N-[1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate

30. [(1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamic Acid Tert-butyl Ester

31. Tert-butyl N-[(1s,2r)-1-benzyl-2-hydroxy-3-[(2-methylpropyl)amino]propyl]carbamate

32. [(1s,2r)-3-[(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid Tert-butyl Ester

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₃₂N₂O₃
Molecular Weight	336.5 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	336.24129289 g/mol
Monoisotopic Mass	336.24129289 g/mol
Topological Polar Surface Area	70.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	360
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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

160232-08-6

Intermediate Name

Tert-Butyl ((2S,3R)-3-hydroxy-4-(is...

About the Company

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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