Shanghai Daishang Chemical

CAS 79069-13-9

Chemistry, 1 End Use API, 16 Related Intermediates

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Also known as: 79069-13-9, N-boc-l-alaninol, Boc-alaninol, N-tert-butoxycarbonyl-l-alaninol, (s)-2-(boc-amino)-1-propanol, (s)-tert-butyl (1-hydroxypropan-2-yl)carbamate

Molecular Formula

C₈H₁₇NO₃

Molecular Weight

175.23 g/mol

InChI Key

PDAFIZPRSXHMCO-LURJTMIESA-N

FDA UNII

57BU9FA6VG

1 2D Structure

CAS 79069-13-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m0/s1

2.1.3 InChI Key

PDAFIZPRSXHMCO-LURJTMIESA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

C[C@@H](CO)NC(=O)OC(C)(C)C

2.2 Other Identifiers

2.2.1 UNII

57BU9FA6VG

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 79069-13-9

2. N-boc-l-alaninol

3. Boc-alaninol

4. N-tert-butoxycarbonyl-l-alaninol

5. (s)-2-(boc-amino)-1-propanol

6. (s)-tert-butyl (1-hydroxypropan-2-yl)carbamate

7. N-(tert-butoxycarbonyl)-l-alaninol

8. Tert-butyl N-[(2s)-1-hydroxypropan-2-yl]carbamate

9. (s)-n-boc-alaninol

10. (s)-2-(tert-butoxycarbonylamino)-1-propanol

11. (s)-tert-butyl 1-hydroxypropan-2-ylcarbamate

12. (s)-(-)-2-(tert-butoxycarbonylamino)-1-propanol

13. Tert-butyl (s)-(1-hydroxypropan-2-yl)carbamate

14. Carbamic Acid, [(1s)-2-hydroxy-1-methylethyl]-, 1,1-dimethylethyl Ester

15. Mfcd00043121

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

17. Carbamic Acid, (2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl Ester, (s)-

18. Tert-butyl ((2s)-1-hydroxypropan-2-yl)carbamate

19. Boc-ala-ol

20. Boc-(s)-alaninol

21. (2s)-2-aminopropan-1-ol, N-boc Protected

22. 57bu9fa6vg

23. Schembl57872

24. N-t-butoxycarbonyl-l-alaninol

25. Tert-butyl N-[(1s)-2-hydroxy-1-methyl-ethyl]carbamate

26. Dtxsid40427479

27. N-boc-l-alaninol, Boc-l-alaninol

28. Fd1019

29. Akos015838059

30. N-(tert.-butyloxycarbonyl)-l-alaninol

31. Cs-w007729

32. Hy-w007729

33. (s)-2-t-butoxycarbonylamino-1-propanol

34. Ac-23791

35. As-14668

36. Bp-12774

37. Am20100787

38. B1953

39. (5)-tert-butyl 1-hydroxypropan-2-ylcarbamate

40. (s)-2-(tert-butoxycarbonyl)amino-1-propanol

41. (s)-tert-butyl-1-hydroxypropan-2-ylcarbamate

42. Tert-butyl 2-hydroxy-1-methylethylcarbamate #

43. (s)-tert-butyl 1 -hydroxypropan-2-ylcarbamate

44. B-4620

45. En300-156990

46. T-butyl (1s)-2-hydroxy-1-methylethylcarbamate

47. (s)-2-(n-tert-butoxycarbonylamino)-1-propanol

48. T-butyl (s)-(2-hydroxy-1-methylethyl)carbamate

49. Tert-butyl[(2s)-1-hydroxypropan-2-yl]carbamate

50. (s)-tert-butyl (1-hydroxypropan-2-yl)-carbamate

51. A839569

52. (s)-(?)-2-(tert-butoxycarbonylamino)-1-propanol

53. J-502278

54. Tert-butyl [(1s)-2-hydroxy-1-methylethyl]carbamate

55. Tert-butyl[(1s)-2-hydroxy-1-methylethyl]carbamate

56. (s)-2-[n-(2-methyl-2-propyloxycarbonyl) Amino]propanol

57. ((s)-2-hydroxy-1-methyl-ethyl)-carbamic Acid Tert-butyl Ester

58. ((s)-2-hydroxy-1-methylethyl)carbamic Acid Tert-butyl Ester

59. (1s)-2-hydroxy-1-methyl-ethyl-carbamic Acid Tert-butyl Ester

60. (s)-(2-hydroxy-1-methyl-ethyl)-carbamic Acid Tert-butyl Ester

61. 1,1-dimethylethyl N-[(1s)-2-hydroxy-1-methylethyl]carbamate

62. (s)-2-(boc-amino)-1-propanol, 98%, Optical Purity Ee: 98% (glc)

63. Carbamic Acid, N-[(1s)-2-hydroxy-1-methylethyl]-, 1,1-dimethylethyl Ester

2.4 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₇NO₃
Molecular Weight	175.23 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	58.6
Heavy Atom Count	12
Formal Charge	0
Complexity	151
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

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CAS Number

196404-55-4

End Use API

Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Tech...

Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Technical innovation, Quality Orientation", we practice best of technology innovation, optimized management and robust service system for our customers. Daishang Chem is specialized in the researching, manufacturing, sales and marketing of API & Its Intermediates as well as other Fine Chemicals, taking great advantages of professional and proficient staff, based on three chemical manufacturing sites and one GMP manufacturing workshops in Liaoning, Henan and Zhejiang provinces, and one R&D laboratory in Zhangjiang Hi-tech Park.

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