CAS 102089-74-7

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1 End Use APIs
6 Related Intermediates

Chemistry

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Also known as: 102089-74-7, (r)-n-(tert-butoxycarbonyl)-2-phenylglycinol, (-)-n-boc-d-alpha-phenylglycinol, N-boc-d-2-phenylglycinol, (r)-tert-butyl (2-hydroxy-1-phenylethyl)carbamate, (r)-2-(tert-butoxycarbonylamino)-2-phenylethanol

Molecular Formula

C₁₃H₁₉NO₃

Molecular Weight

237.29 g/mol

InChI Key

IBDIOGYTZBKRGI-NSHDSACASA-N

FDA UNII

G846LR8HDC

1 2D Structure

CAS 102089-74-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate

2.1.2 InChI

InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16)/t11-/m0/s1

2.1.3 InChI Key

IBDIOGYTZBKRGI-NSHDSACASA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC(CO)C1=CC=CC=C1

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CO)C1=CC=CC=C1

2.2 Other Identifiers

2.2.1 UNII

G846LR8HDC

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 102089-74-7

2. (r)-n-(tert-butoxycarbonyl)-2-phenylglycinol

3. (-)-n-boc-d-alpha-phenylglycinol

4. N-boc-d-2-phenylglycinol

5. (r)-tert-butyl (2-hydroxy-1-phenylethyl)carbamate

6. (r)-2-(tert-butoxycarbonylamino)-2-phenylethanol

7. N-boc-d-phenylglycinol

8. N-boc-(r)-phenylglycinol

9. G846lr8hdc

10. Tert-butyl [(1r)-2-hydroxy-1-phenylethyl]carbamate

11. Tert-butyl N-[(1r)-2-hydroxy-1-phenylethyl]carbamate

12. Carbamic Acid, [(1r)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl Ester

13. Carbamic Acid, N-[(1r)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl Ester

14. (r)-(-)-2-(boc-amino)-2-phenylethanol

15. (r)-1,1-dimethylethyl (2-hydroxy-1-phenylethyl)carbamate

16. Boc-d-phg-ol

17. Mfcd00274205

18. Carbamic Acid, (2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl Ester, (r)-

19. N-boc-r-phenylglycinol

20. N-boc- D -2-phenylglycinol

21. Tert-butyl ((1r)-2-hydroxy-1-phenylethyl)carbamate

22. (r)-2-((n-tert-butoxycarbonyl)amino)-2-phenylethanol

23. (r)-2-[(n-tert-butoxycarbonyl)amino]-2-phenylethanol

24. ((r)-2-hydroxy-1-phenyl-ethyl)-carbamic Acid Tert-butyl Ester

25. [(r)-2-hydroxy-1-phenyl-ethyl]-carbamic Acid Tert-butyl Ester

26. Carbamic Acid, ((1r)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl Ester

27. Carbamic Acid, N-((1r)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl Ester

28. Unii-g846lr8hdc

29. N-boc-alpha-d-phenylglycinol

30. Tert-butyl (r)-(2-hydroxy-1-phenylethyl)carbamate

31. Schembl127326

32. Dtxsid00426847

33. Act03114

34. Zinc2564779

35. (r)-2-(boc-amino)-2-phenylethanol

36. (-)-n-boc-d- Alpha -phenylglycinol

37. Akos016842291

38. Ac-5649

39. Am90171

40. Cs-w012848

41. (r)-n-boc-2-hydroxy-1-phenylethylamine

42. Ds-11901

43. (-)-n-boc-d-alpha-phenylglycinol, 99%

44. 2(r)-t-butoxycarbonylamino-2-phenylethanol

45. N-(tert-butoxycarbonyl)-d-2-phenylglycinol

46. 2-(r)-t-butoxycarbonylamino-2-phenylethanol

47. (2r)-2-t-butoxycarbonylamino-2-phenylethanol

48. A22806

49. (r)-tert-butyl 2-hydroxy-1-phenylethylcarbamate

50. 089b747

51. Q-101621

52. (betar)-beta-(tert-butoxycarbonylamino)benzeneethanol

53. ((r)-2-hydroxy-1-phenylethyl)carbamic Acid Tert-butyl Ester

2.4 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₉NO₃
Molecular Weight	237.29 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	237.13649347 g/mol
Monoisotopic Mass	237.13649347 g/mol
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	242
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1