CAS 23877-12-5

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3 End Use APIs
15 Related Intermediates

Chemistry

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Also known as: 23877-12-5, Tert-butyl 2-bromo-2-methylpropanoate, T-butyl 2-bromo isobutyrate, Tert-butyl 2-bromo-2-methylpropionate, Tert-butyl alpha-bromoisobutyrate, T-butyl 2-bromoisobutyrate

Molecular Formula

C₈H₁₅BrO₂

Molecular Weight

223.11 g/mol

InChI Key

IGVNJALYNQVQIT-UHFFFAOYSA-N

1 2D Structure

CAS 23877-12-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 2-bromo-2-methylpropanoate

2.1.2 InChI

InChI=1S/C8H15BrO2/c1-7(2,3)11-6(10)8(4,5)9/h1-5H3

2.1.3 InChI Key

IGVNJALYNQVQIT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)C(C)(C)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 23877-12-5

2. Tert-butyl 2-bromo-2-methylpropanoate

3. T-butyl 2-bromo Isobutyrate

4. Tert-butyl 2-bromo-2-methylpropionate

5. Tert-butyl Alpha-bromoisobutyrate

6. T-butyl 2-bromoisobutyrate

7. 2-bromoisobutyric Acid Tert-butylester

8. Propanoic Acid, 2-bromo-2-methyl-, 1,1-dimethylethyl Ester

9. 2-bromoisobutyric Acid Tert-butyl Ester

10. T-butyl 2-bromoisobutylate

11. Tert-butyl 2-bromoisobutylate

12. Mfcd00051908

13. 2-bromo-2-methyl-propionic Acid Tert-butyl Ester

14. Tert-butyl-2-bromoisobutyrate

15. Einecs 245-924-7

16. Tertbutyl Bromoisobutyrate

17. Tert-butyl Bromisobutyrate

18. Tert-butyl Bromoisobutyrate

19. T-butyl-2-bromoisobutyrate

20. Tert-butyl 2-bromisobutyrate

21. Tert Butyl-2-bromoisobutyrate

22. Schembl161854

23. Tert-butyl-2-bromo-isobutyrate

24. Tert.-butyl 2-bromoisobutyrate

25. Dtxsid80178579

26. Tert-butyl Alpha -bromoisobutyrate

27. Zinc153250

28. Bcp24439

29. T-butyl 2-bromo-2-methylpropionate

30. T-butyl-2-bromo-2-methylpropanoate

31. Yaa87712

32. Tert-butyl2-bromo-2-methylpropanoate

33. Tert-butyl 2-bromo-2-methylpropanate

34. Akos015900934

35. Cs-w001075

36. Tert-butyl 2-bromo-2,2-dimethylacetate

37. Tert.-butyl 2-bromo-2-methyl-propionate

38. As-13184

39. Sy035581

40. Alpha-bromoisobutyric Acid Tert-butyl Ester

41. Db-002894

42. B3500

43. Ft-0638365

44. Tert-butyl Alpha-bromoisobutyrate, >=98.0%

45. 1,1-dimethylethyl 2-bromo-2-methylpropanoate

46. Tert-butyl-2-bromo-2-methylpropionate

47. F20324

48. 2-bromo-2-methylpropionic Acid Tert-butyl Ester

49. J-015256

50. J-524438

51. 2-bromo-2-methylpropanoic Acid Tert-butyl Ester

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₅BrO₂
Molecular Weight	223.11 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	222.02554 g/mol
Monoisotopic Mass	222.02554 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	156
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