TERT-BUTYL TRANS-4-(2-OXOETHYL)CYCLOHEXYLCARBAMATE, - Uses, DMF, Dossier, Manufacturer, Supplier, Licensing, Distributer, Prices, News, GMP

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 15 Related Intermediates

1 Suppliers
1 End Use APIs
15 Related Intermediates

Chemistry

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Also known as: 215790-29-7, 847417-37-2, Tert-butyl cis-4-(2-oxoethyl)cyclohexylcarbamate, Tert-butyl n-[4-(2-oxoethyl)cyclohexyl]carbamate, 886850-97-1, Cis-tert-butyl (4-(2-oxoethyl)cyclohexyl)carbamate

Molecular Formula

C₁₃H₂₃NO₃

Molecular Weight

241.33 g/mol

InChI Key

OPGBSEXLSWYFOR-UHFFFAOYSA-N

1 2D Structure

Tert-butyl trans-4-(2-oxoethyl)cyclohexylcarbamate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate

2.1.2 InChI

InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11-6-4-10(5-7-11)8-9-15/h9-11H,4-8H2,1-3H3,(H,14,16)

2.1.3 InChI Key

OPGBSEXLSWYFOR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)CC=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 215790-29-7

2. 847417-37-2

3. Tert-butyl Cis-4-(2-oxoethyl)cyclohexylcarbamate

4. Tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate

5. 886850-97-1

6. Cis-tert-butyl (4-(2-oxoethyl)cyclohexyl)carbamate

7. N-[trans-4-(2-oxoethyl)cyclohexyl]carbamic Acid 1,1-dimethylethyl Ester

8. Tert-butyl (4-(2-oxoethyl)cyclohexyl)carbamate

9. Tert-butyl [cis-4-(2-oxoethyl)cyclohexyl]carbamate

10. Tert-butyl (trans-4-(2-oxoethyl)cyclohexyl)carbamate

11. Trans-tert-butyl (4-(2-oxoethyl)cyclohexyl)carbamate

12. Tert-butyl [4-(2-oxoethyl)cyclohexyl]carbamate

13. Starbld0049312

14. Trans-4-(boc-amino)cyclohexaneacetaldehyde

15. Schembl224929

16. Schembl224930

17. Schembl11921121

18. Schembl12536055

19. Xib41737

20. Zinc2518234

21. Mfcd03844591

22. Mfcd03844592

23. Akos015904322

24. Akos027327286

25. Carbamic Acid, [4-(2-oxoethyl)cyclohexyl]-,1,1-dimethylethyl Ester (9ci)

26. Carbamic Acid,n-[trans-4-(2-oxoethyl)cyclohexyl]-, 1,1-dimethylethyl Ester

27. Zinc100007037

28. Zinc100007275

29. Sb17931

30. As-43517

31. As-43520

32. Cis-4-(boc-amino)-(2-oxoethyl)cyclohexane

33. Db-096727

34. Cs-0056805

35. En300-1878946

36. Trans-1-(boc-amino)-4-(2-oxoethyl)cyclohexane

37. Trans-tert-butyl-4-(2-oxoethyl)-cyclohexylcarbamate

38. Tert-butyl (1r,4r)-4-(2-oxoethyl)cyclohexylcarbamate

39. Tert-butyltrans-4-(2-oxoethyl)cyclohexylcarbamate

40. Tert-butyl Trans-4-(2-oxoethyl)cyclohexylcarbamate,

41. [4-(2-oxo-ethyl)-cyclohexyl]-carbamic Acid Tert-butyl Ester

42. 1,1-dimethylethyl [trans-4-(2-oxoethyl)cyclohexyl]carbamate

43. 4beta-(tert-butoxycarbonylamino)cyclohexane-1alpha-acetaldehyde

44. Trans-4-(2-oxoethyl)cyclohexyl-carbamic Acid Tert-butyl Ester

45. [trans-4-(2-oxo-ethyl)-cyclohexyl]-carbamic Acid Tert-butyl Ester

46. Trans-[4-(2-oxo-ethyl)-cyclohexyl]-carbamic Acid Tert-butyl Ester

47. Trans-[4-(2-oxo-ethyl)-cyclohexyl]-carbamic Acid Tert-butylester

48. Carbamic Acid,[4-(2-oxoethyl)cyclohexyl]-,1,1-dimethylethyl Ester(9ci)

49. N-[4beta-(2-oxoethyl)cyclohexane-1alpha-yl]carbamic Acid Tert-butyl Ester

2.3 Create Date

2008-02-29

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₃NO₃
Molecular Weight	241.33 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	55.4
Heavy Atom Count	17
Formal Charge	0
Complexity	262
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