Pmc Isochem

CAS 127199-45-5

Chemistry, 1 End Use API, 5 Related Intermediates

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Also known as: 127199-45-5, (s)-7-tert-butoxycarbonylamino-5-azaspiro[2.4]heptane, (s)-7-n-boc-amino-5-aza-spiro[2.4]heptane, Tert-butyl n-[(7s)-5-azaspiro[2.4]heptan-7-yl]carbamate, Carbamic acid, (7s)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester, Carbamic acid, (7s)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester (9ci)

Molecular Formula

C₁₁H₂₀N₂O₂

Molecular Weight

212.29 g/mol

InChI Key

CGEBPOMWRHSMLI-MRVPVSSYSA-N

1 2D Structure

CAS 127199-45-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate

2.1.2 InChI

InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-8-6-12-7-11(8)4-5-11/h8,12H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1

2.1.3 InChI Key

CGEBPOMWRHSMLI-MRVPVSSYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC1CNCC12CC2

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1CNCC12CC2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 127199-45-5

2. (s)-7-tert-butoxycarbonylamino-5-azaspiro[2.4]heptane

3. (s)-7-n-boc-amino-5-aza-spiro[2.4]heptane

4. Tert-butyl N-[(7s)-5-azaspiro[2.4]heptan-7-yl]carbamate

5. Carbamic Acid, (7s)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl Ester

6. Carbamic Acid, (7s)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl Ester (9ci)

7. (s)-n-boc-5-azaspiro[2.4]heptan-7-amine

8. (s)-(5-aza-spiro[2.4]hept-7-yl)-carbamic Acid Tert-butyl Ester

9. (s)-7-(boc-amino)-5-azaspiro[2.4]heptane

10. (7s)-7-tert-butoxycarbonylamino-5-azaspiro(2.4)heptane

11. (7s)-7-tert-butoxycarbonylamino-5-azaspiro[2.4]heptane

12. Mfcd09955395

13. Schembl2738139

14. Amsp00024

15. Dtxsid40438560

16. Bcp10392

17. Zinc22007245

18. Akos016842277

19. Ac-8342

20. Am85538

21. Cs-w005356

22. As-20033

23. 199b455

24. (s)-tert-butyl5-azaspiro[2.4]heptan-7-ylcarbamate

25. J-502290

26. J-519986

27. 7-(s)-t-butoxycarbonylamino-5-azaspiro[2.4]heptane

28. Tert-butyl (7s)-5-azaspiro[2.4]heptan-7-ylcarbamate

29. 7-(s)-tert-butoxycarbonylamino-5-azaspiro[2.4]heptane

30. Tert-butyl (s)-(5-azaspiro[2.4]heptan-7-yl)carbamate

31. 7-(s)-[tert-butoxycarbonylamino]-5-azaspiro[2.4]heptane

32. (7s)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl Ester

33. (s)-(5-aza-spiro2.4hept-7-yl)-carbamic Acid Tert-butyl Ester

34. 2-methyl-2-propanyl (7s)-5-azaspiro[2.4]hept-7-ylcarbamate

35. (s)-(5-azaspiro[2.4]hept-7-yl)-carbamic Acid Tert-butyl Ester

36. (s)-7-tert-butoxycarbonylamino-5-azaspiro[2.4]heptane, Aldrichcpr

37. Carbamic Acid, N-(7s)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl Ester

38. N-[(s)-5-azaspiro[2.4]heptan-7beta-yl]carbamic Acid Tert-butyl Ester

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₂₀N₂O₂
Molecular Weight	212.29 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	212.152477885 g/mol
Monoisotopic Mass	212.152477885 g/mol
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	266
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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CAS Number

14602-86-9

End Use API

Sitafloxacin Hydrate

About the Company

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.