CAS 112022-83-0

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Also known as: 112022-83-0, (r)-1-methyl-3,3-diphenylhexahydropyrrolo[1,2-c][1,3,2]oxazaborole, (r)-(+)-2-methyl-cbs-oxazaborolidine, (r)-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine, (r)-tetrahydro-1-methyl-3,3-diphenyl-1h,3h-pyrrolo[1,2-c][1,3,2]oxazaborole, (r)-methyl oxazaborolidine

Molecular Formula

C₁₈H₂₀BNO

Molecular Weight

277.2 g/mol

InChI Key

VMKAFJQFKBASMU-QGZVFWFLSA-N

1 2D Structure

CAS 112022-83-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3aR)-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-/m1/s1

2.1.3 InChI Key

VMKAFJQFKBASMU-QGZVFWFLSA-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. 112022-83-0

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

3. (r)-(+)-2-methyl-cbs-oxazaborolidine

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

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

6. (r)-methyl Oxazaborolidine

7. (3ar)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole

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

9. Corey's Catalyst

10. (r)-(+)-2-methyl-cbs-oxazaborolidine (1 M In Toluene)

11. (r)-2-methyl-cbs-oxazaborolidine, 1m Solution In Toluene

12. (r)-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborlidine

13. Mfcd00078440

14. (3ar)-1-methyl-3,3-diphenyltetrahydro-3h-pyrrolo[1,2-c][1,3,2]oxazaborole

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

16. (3ar)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole (1mol/l In Toluene)

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

18. R-mecbs

19. (r) -cbs Catalyst

20. (r)-me-cbs Catalyst

21. (r)-me Cbs

22. 2-methyl-cbs-oxazaborolidine

23. Schembl177308

24. Schembl522527

25. (r)-methyl Cbs Oxazaborolidine

26. Dtxsid40920652

27. (r)-2-methyl-cbs-oxazaboro-lidine

28. Bbl103109

29. Stl556919

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

31. (r)-methyl-cbs-oxazaborolidine

32. Akos015841145

33. Akos015968991

34. Zinc169743319

35. Ac-9534

36. Am62744

37. Sc10770

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

39. (r)-2-methyl-cbs-oxazaborolidine(thf)

40. (r)-(+)-2-methyl-cbs- Oxazaborolidine

41. (r)-methyl Oxazaborolidine 1m In Toluene

42. As-47015

43. D2130

44. D5911

45. F11419

46. (r)-(+)-2-methyl-cbs-oxazaborolidine, >=95%

47. (r)-methyloxazaborolidine, 0.9-1.1m In Toluene

48. A852890

49. (r)-2-methyl-cbs-oxazaborolidine Monohydrate

50. Q-101081

51. Q4544847

52. A,a-diphenyl-d-prolinol Methylboronic Acid Cycl-amide Ester

53. (r)-(+)-2-methyl-cbs-oxazaborolidine Solution, 1 M In Thf

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

55. (r)-(+)-2-methyl-cbs-oxazaborolidine Solution, 1 M In Toluene

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

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

58. (3ar)-tetrahydro-1-methyl-3,3-diphenyl-3h-pyrrolo[1,2-c][1,3,2]oxazaborole

59. (r)-1-methyl-3,3-diphenyltetrahydro-3h-pyrrolo[1,2-c] [1,3,2] Oxazaborole

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

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

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

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

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

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

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

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

68. (r)-tetrahyro-1-methyl-3,3-diphenyl-1h,3h-pyrrolo[1,2-c] [1,3,2]-oxazaborole

69. 1h,3h-pyrrolo[1,2-c][1,3,2]oxazaborole, Tetrahydro-1-methyl-3,3-diphenyl-, (3ar)-

70. (r)-1-methyl-3,3-diphenyltetrahydro-1h,3h-pyrrolo[1,2-c][1,3,2]oxazaborole, 1m In Toluene

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

2.3 Create Date

2006-10-25

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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