4CH-011697

Chemistry, 2 End Use API, 2 Related Intermediates

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Also known as: 86978-24-7, (z)-2-(2-tert-butoxycarbonylaminothiazol-4-yl)-2-pentenoic acid, (z)-2-(2-t-butoxycarbonylaminothiazol-4-yl)-2-pentenoic acid, (z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]pent-2-enoic acid, (z)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-propylidene-4-thiazoleacetic acid, Btpa

Molecular Formula

C₁₃H₁₈N₂O₄S

Molecular Weight

298.36 g/mol

InChI Key

XIXNSLABECPEMI-VURMDHGXSA-N

1 2D Structure

4CH-011697

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]pent-2-enoic acid

2.1.2 InChI

InChI=1S/C13H18N2O4S/c1-5-6-8(10(16)17)9-7-20-11(14-9)15-12(18)19-13(2,3)4/h6-7H,5H2,1-4H3,(H,16,17)(H,14,15,18)/b8-6-

2.1.3 InChI Key

XIXNSLABECPEMI-VURMDHGXSA-N

2.1.4 Canonical SMILES

CCC=C(C1=CSC(=N1)NC(=O)OC(C)(C)C)C(=O)O

2.1.5 Isomeric SMILES

CC/C=C(/C1=CSC(=N1)NC(=O)OC(C)(C)C)\C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 86978-24-7

2. (z)-2-(2-tert-butoxycarbonylaminothiazol-4-yl)-2-pentenoic Acid

3. (z)-2-(2-t-butoxycarbonylaminothiazol-4-yl)-2-pentenoic Acid

4. (z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]pent-2-enoic Acid

5. (z)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-propylidene-4-thiazoleacetic Acid

6. Btpa

7. Eatb

8. (z)-2-(2-((tert-butoxycarbonyl)amino)-thiazol-4-yl)pent-2-enoic Acid

9. (z)-2-(2-t-butoxycarbonylamino-4-thiazolyl)pent-2-enoic Acid

10. Ec 430-100-3

11. Schembl4755227

12. Schembl4755230

13. (z)-2-(2-tert-butoxycarbonylamino-4-thiazolyl)-2-pentenoic Acid

14. Amy22347

15. Bcp22683

16. (z)-2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)pent-2-enoicacid

17. Mfcd08458237

18. Zinc21300534

19. Akos015896643

20. Bcp9000634

21. Ds-1869

22. Cs-0153944

23. 978b247

24. A841894

25. J-502579

26. (z)-2-(2-(boc-amino)thiazol-4-yl)pent-2-enoic Acid

27. (z)-2-(2-t-butoxycarbonylaminothiazol-4- Yl) -2-pentenoic Acid

28. (2z)-2-(2-{[(tert-butoxy)carbonyl]amino}-1,3-thiazol-4-yl)pent-2-enoic Acid

29. 2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]pent-2-enoic Acid;(z)-2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)pent-2-enoic Acid

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₈N₂O₄S
Molecular Weight	298.36 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	298.09872823 g/mol
Monoisotopic Mass	298.09872823 g/mol
Topological Polar Surface Area	117 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	404
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

115065-79-7

End Use API

Ceftibuten Sidechain

About the Company

Hubei Ling Sheng Pharmaceutical Co., Ltd. was established in December 29, 2010, the company is located in...

Hubei Ling Sheng Pharmaceutical Co., Ltd. was established in December 29, 2010, the company is located in Xiangyang City, Hubei Province Xiangcheng Economic Development Zone, is a key intermediate cephalosporin antibiotics, APIs, DDP-4 hypoglycemic agents , Development, production and sales of specialized pharmaceutical companies. In 2016 the company obtained the national high-tech enterprise certification. Company under the Hubei Ling Sheng Pharmaceutical Co., Ltd. Wuhan Branch. The company has the core technology, is currently the industry's major oral cephalosporin antibiotics API production base.

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