CAS 98737-29-2

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Also known as: 98737-29-2, (2s,3s)-n-t-boc-3-amino-1,2-epoxy-4-phenylbutane, 286019-82-7, (2s,3s)-(-)-3-(t-boc-amino)-1,2-epoxy-4-phenylbutane, Tert-butyl n-[(1s)-1-[(2s)-oxiran-2-yl]-2-phenylethyl]carbamate, (2s,3s)-3-boc-amino-1,2-epoxy-4-phenylbutane

Molecular Formula

C₁₅H₂₁NO₃

Molecular Weight

263.33 g/mol

InChI Key

NVPOUMXZERMIJK-QWHCGFSZSA-N

1 2D Structure

CAS 98737-29-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate

2.1.2 InChI

InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)/t12-,13+/m0/s1

2.1.3 InChI Key

NVPOUMXZERMIJK-QWHCGFSZSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2CO2

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H]2CO2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 98737-29-2

2. (2s,3s)-n-t-boc-3-amino-1,2-epoxy-4-phenylbutane

3. 286019-82-7

4. (2s,3s)-(-)-3-(t-boc-amino)-1,2-epoxy-4-phenylbutane

5. Tert-butyl N-[(1s)-1-[(2s)-oxiran-2-yl]-2-phenylethyl]carbamate

6. (2s,3s)-3-boc-amino-1,2-epoxy-4-phenylbutane

7. Tert-butyl [s-(r*,r*)]-(-)-(1-oxiranyl-2-phenylethyl)carbamate

8. Tert-butyl ((s)-1-((s)-oxiran-2-yl)-2-phenylethyl)carbamate

9. (2s,3s)-n-boc-3-amino-1,2-epoxy-4-phenylbutane

10. (2s,3s)-(-)-3-tert-butoxycarbonylamino-1,2-epoxy-4-phenylbutane

11. Tert-butyl Rel-((s)-1-((s)-oxiran-2-yl)-2-phenylethyl)carbamate

12. Tert-butyl N-[(1s)-1-((2s)-oxiran-2-yl)-2-phenylethyl]carbamate

13. Mfcd02258997

14. (2s,3s)-1,2-epoxy-3-(tert-butoxycarbonylamino)-4-phenylbutane

15. Ec 425-420-5

16. Tert-butyl [(s)-1-[(s)-oxiran-2-yl]-2-phenylethyl]carbamate

17. Schembl1104909

18. Dtxsid801173325

19. Act02842

20. Bcp12784

21. Tert-butyl {(1s)-1-[(2s)-oxiran-2-yl]-2-phenylethyl}carbamate

22. Zinc2567352

23. Ac7771

24. Tert-butyl (1s)-n-(1-((2s)-2-oxiranyl)-2-phenylethyl)carbamate

25. Akos015894820

26. Cs-w002934

27. Gs-3357

28. Am20060765

29. E0893

30. 737e292

31. A845902

32. (2s,3s)-3-(boc-amino)-1,2-epoxy-4-phenylbutane

33. 2s,3s)-1,2-epoxy-3-(boc-amino)-4-phenylbutane

34. J-501033

35. T-butyl [1(s)-benzyl-2(s),3-epoxypropyl]carbamate

36. (2s,3s)-1,2-epoxy-3-(boc-amino)-4-phenylbutane, 99%

37. Tert-butyl (1s)-1-[(2s)-oxiranyl]-2-phenylethylcarbamate

38. Tert-butyl(s)-1-((s)-oxiran-2-yl)-2-phenylethylcarbamate

39. (2s, 3s)-3-tert-butoxycarbonylamino-1,2-epoxy-4-phenylbutane

40. (2s,3s)-(n-boc-3-amino)-1,2-epoxy-4-phenylbutane

41. (2s,3s)-3-tert-butoxycarbonylamino-1,2-epoxy-4-phenylbutane

42. 3(s)-(t-butyloxycarbonyl)amino-1,2(s)-epoxy-4-phenylbutane

43. Tert-butyl (1s)-1-[(2s)-oxiran-2-yl]-2-phenylethylcarbamate

44. Tert-butyl(1s)-1-[(2s)-oxiran-2-yl]-2-phenylethylcarbamate

45. ((s)-(s)-1-oxiranyl-2-phenyl-ethyl)-carbamic Acid Tert-butyl Ester

46. ((s)-1-(s)-oxiranyl-2-phenyl-ethyl)-carbamic Acid Tert-butyl Ester

47. (2s,3s)-3-(tert-butoxycarbonylamino)-1,2-epoxy-4-phenylbutane

48. [(alphas,2s)-alpha-benzylglycidyl]carbamic Acid Tert-butyl Ester

49. Tert-butyl ((s)-(r,r))-(-)-(1-oxiranyl-2-phenylethyl)carbamate

50. Tert-butyl (s)-1-((s)-oxiran-2-yl)-2-phenylethylcarbamate

51. 1,1-dimethylethyl {(1s)-1-[(2s)-2-oxiranyl]-2-phenylethyl}carbamate

52. N-[(1s)-1-[(2s)-2-oxiranyl]-2-phenylethyl]-carbamic Acid 1,1-dimethylethyl Ester

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₁NO₃
Molecular Weight	263.33 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	263.15214353 g/mol
Monoisotopic Mass	263.15214353 g/mol
Topological Polar Surface Area	50.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	305
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