CAS 85909-08-6

Chemistry, 1 End Use API, 22 Related Intermediates

Manufacturers/Suppliers

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Also known as: 85909-08-6, 1-(tert-butoxycarbonyl)-2-pyrrolidinone, Tert-butyl 2-oxo-1-pyrrolidinecarboxylate, N-boc-2-pyrrolidinone, 1-boc-2-pyrrolidinone, N-boc-pyrrolidone

Molecular Formula

C₉H₁₅NO₃

Molecular Weight

185.22 g/mol

InChI Key

GJJYYMXBCYYXPQ-UHFFFAOYSA-N

FDA UNII

9GS4FVG7EW

1 2D Structure

CAS 85909-08-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 2-oxopyrrolidine-1-carboxylate

2.1.2 InChI

InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-5-7(10)11/h4-6H2,1-3H3

2.1.3 InChI Key

GJJYYMXBCYYXPQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1CCCC1=O

2.2 Other Identifiers

2.2.1 UNII

9GS4FVG7EW

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 85909-08-6

2. 1-(tert-butoxycarbonyl)-2-pyrrolidinone

3. Tert-butyl 2-oxo-1-pyrrolidinecarboxylate

4. N-boc-2-pyrrolidinone

5. 1-boc-2-pyrrolidinone

6. N-boc-pyrrolidone

7. N-boc-2-oxopyrrolidine

8. 1-boc-2-oxopyrrolidine

9. Nsc662770

10. 9gs4fvg7ew

11. 1-pyrrolidinecarboxylic Acid, 2-oxo-, 1,1-dimethylethyl Ester

12. 1,1-dimethylethyl 2-oxo-1-pyrrolidinecarboxylate

13. Mfcd00674099

14. Nsc-662770

15. 2-oxo-pyrrolidine-1-carboxylic Acid Tert-butyl Ester

16. Nsc 662770

17. Tert-butyl2-oxopyrrolidine-1-carboxylate

18. 1-(tert-butoxycarbonyl)-2-oxopyrrolidine

19. 1-pyrrolidinecarboxylicacid, 2-oxo-, 1,1-dimethylethyl Ester

20. Unii-9gs4fvg7ew

21. Schembl205421

22. 1-boc-pyrrolidin-2-one

23. Chembl1996540

24. Dtxsid60235235

25. Act05907

26. Bcp32535

27. Cs-m1641

28. Zinc4977458

29. 1-(t-butoxycarbonyl)-2-pyrrolidinone

30. Akos015841632

31. N-boc-1-azacyclopentan-2-one

32. N-tert-butoxycarbonyl-2-oxopyrrolidine

33. Ab06934

34. N-tert-butyloxycarbonyl-2-pyrrolidinone

35. Ss-3403

36. Tert-butyl Oxopyrrolidine-1-carboxylate

37. 1-(tert-butoxy)carbonyl-pyrrolidin-2-one

38. 1-(tert-butoxycarbonyl)pyrrolidine-2-one

39. Ac-24502

40. Amy202003282

41. Nci60_021677

42. Sy030188

43. Tert Butyl-2-oxo-1-pyrrolidinecarboxylate

44. Tert-butyl-2-oxo-1-pyrrolidinecarboxylate

45. Tert.butyl-2-oxo-1-pyrrolidinecarboxylate

46. Pyrrolidin-2-one, N-boc Protected

47. Tert-butyl 2-oxo-pyrrolidine-1-carboxylate

48. Cs-0181165

49. Ft-0652511

50. 1-(tert-butoxycarbonyl)-2-pyrrolidinone, 97%

51. N-(tert-butoxycarbonyl)pyrrolidin-2-one

52. 1-(tert-butoxycarbonyl)pyrrolidin-2-one

53. 2-oxopyrrolidine-1-carboxylic Acid T-butyl Ester

54. 2-oxo-pyrrolidin-1-carboxylic Acid T-butyl Ester

55. N-(tert-butyloxycarbonyl)pyrrolidin-2-one

56. J-524459

57. 1-pyrrolidinecarboxylicacid,2-oxo-,1,1-dimethylethylester

58. 2-oxopyrrolidine-1-carboxylic Acid Tert-butyl Ester

59. Tert-butyl 2-oxopyrrolidine-1-carboxylate;1-boc-2-pyrrolidinone

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₅NO₃
Molecular Weight	185.22 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	185.10519334 g/mol
Monoisotopic Mass	185.10519334 g/mol
Topological Polar Surface Area	46.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	230
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1