CAS 112022-81-8

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Also known as: 112022-81-8, (s)-3,3-diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-oxazaborole, (s)-(-)-2-methyl-cbs-oxazaborolidine, (s)-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine, (s)-1-methyl-3,3-diphenylhexahydropyrrolo[1,2-c][1,3,2]oxazaborole, (3as)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole

Molecular Formula

C₁₈H₂₀BNO

Molecular Weight

277.2 g/mol

InChI Key

VMKAFJQFKBASMU-KRWDZBQOSA-N

1 2D Structure

CAS 112022-81-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3aS)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole

2.1.2 InChI

InChI=1S/C18H20BNO/c1-19-20-14-8-13-17(20)18(21-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3/t17-/m0/s1

2.1.3 InChI Key

VMKAFJQFKBASMU-KRWDZBQOSA-N

2.1.4 Canonical SMILES

B1(N2CCCC2C(O1)(C3=CC=CC=C3)C4=CC=CC=C4)C

2.1.5 Isomeric SMILES

B1(N2CCC[C@H]2C(O1)(C3=CC=CC=C3)C4=CC=CC=C4)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 112022-81-8

2. (s)-3,3-diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-oxazaborole

3. (s)-(-)-2-methyl-cbs-oxazaborolidine

4. (s)-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine

5. (s)-1-methyl-3,3-diphenylhexahydropyrrolo[1,2-c][1,3,2]oxazaborole

6. (3as)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole

7. (s)-me-cbs

8. S-(-)-2-methyl-cbs-oxazaborolidine

9. (s)-tetrahydro-1-methyl-3,3-diphenyl-1h,3h-pyrrolo[1,2-c][1,3,2]oxazaborole

10. (s)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2c][1,3,2]oxazaborole

11. (s)-3,3-diphenyl-1-methyltetrahydro-3h-pyrrolo[1,2-c][1,3,2]oxazaborole

12. (s)-2-methyl-cbs-oxazaborolidine (1 M In Toluene)

13. Corey's Catalyst

14. Mfcd00078439

15. Corey Catalyst

16. (s)-methyl-cbs-oxazaborolidine

17. (s)-tetrahydro-1-methyl-3,3-diphenyl-1h,3h-pyrrolo(1,2-c)(1,3,2)oxazaborole

18. (s)-3,3-diphenyl-1-methyltetrahydro-1h,3h-pyrrolo[1,2-c][1,3,2]oxazaborole

19. (s)-me-cbs Catalyst

20. (s)-methyl-cbs

21. (s)-me Cbs

22. Schembl263582

23. Schembl3311840

24. (s)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole

25. 1-methyl-3,3-diphenyltetrahydro-3h-pyrrolo[1,2-c][1,3,2]oxazaborole #

26. (s)- Methyl-cbs-oxazaborolidine

27. Dtxsid60370458

28. (s)-2-methyl-cbs Oxazaborolidine

29. Bcp11653

30. Akos015840981

31. Zinc169743318

32. Ac-9535

33. Am62743

34. Ds-3373

35. Sc10773

36. 1h,3h-pyrrolo[1,2-c][1,3,2]oxazaborole, Tetrahydro-1-methyl-3,3-diphenyl-, (3as)-

37. (s)-(?)-2-methyl-cbs-oxazaborolidine

38. (s)-2-methyl-cbs-oxazaborolidine(thf)

39. (s)-(-)-2-methyl-cbs- Oxazaborolidine

40. D2131

41. D5912

42. F11434

43. (s)-(-)-2-methyl-cbs-oxazaborolidine, >=95%

44. 022m818

45. (s)-2-methyl-cbs-oxazaborolidine Monohydrate

46. Q-101082

47. A,a-diphenyl-l-prolinol Methylboronic Acid Cycl-amide Ester

48. (s)-(-)-2-methyl-cbs-oxazaborolidine Solution, 1 M In Thf

49. (s)-5,5-diphenyl-2-methyl-3,4-propano-1,3,2oxazaborolidine

50. (s)-(-)-2-methyl-cbs-oxazaborolidine Solution, 1 M In Toluene

51. (s)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2] Oxazaborole

52. (s)-1-methyl-3,3-diphenylhexahydropyrrolo-[1,2-c][1,3,2]oxazaborole

53. (3as)-1-methyl-3,3-diphenyltetrahydro-1h,3h-pyrrolo[1,2-c][1,3,2]oxazaborole

54. (3as)-1-methyl-3,3-diphenyltetrahydro-3h-pyrrolo[1,2-c][1,3,2]oxazaborole

55. (3as)-tetrahydro-1-methyl-3,3-diphenyl-3h-pyrrolo[1,2-c][1,3,2]oxazaborole

56. (s)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole

57. (s)-3,3-diphenyl-1-methyltetrahydro-1h,3h-pyrrolo[1,2-c] [1,3,2] Oxazaborol

58. (s)-3,3-diphenyl-1-methyltetrahydro-1h,3h-pyrrolo[1,2-c][1,3,2] Oxazaborol

59. (s)-3,3-diphenyl-1-methyltetrahydro-1h,3h-pyrrolo[1,2-c][1,3,2]oxazaborole 1m In Toluene

60. (s)-3,3-diphenyl-1-methyltetrahydro-1h,3h-pyrrolo[1,2-c]1,3,2 Oxazaborol

61. (s)-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine (ca. 1mol/l In Toluene)

62. (s)-tetrahydro-1-methyl-3,3-diphenyl-1 H,3 H-pyrrolo[1,2-c][1,3,2] Oxazaborole

63. (s)-tetrahydro-1-methyl-3,3-diphenyl-1 H,3h-pyrrolo[1,2-c]-[1,3,2]oxazaborole

64. (s)-tetrahydro-1-methyl-3,3-diphenyl-1h ,3h-pyrrolo[1,2-c][1,3,2]oxazaborole

65. (s)-tetrahydro-1-methyl-3,3-diphenyl-1h,3h-pyrrolo[1,2-c][1,3,2]oxazaborole, 0.9-1.1m In Toluene

66. (s)-tetrahydro-1-methyl-3,3-diphenyl-1h,3h-pyrrolo[1,2-c][1,3,2]oxazaborole, 0.9-1.1m In Toluene [(s)-methyloxazaborolidine] Corey Catalyst

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₀BNO
Molecular Weight	277.2 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	277.1637944 g/mol
Monoisotopic Mass	277.1637944 g/mol
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	344
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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