Cangzhou Senary Chemical Science Tech Co Ltd | ULXKZRPRLJGLDM-JTQLQIEISA-N | End Use API | Intermediate

Also known as: 401564-36-1, (2s)-4-oxo-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic acid tert-butyl ester, Tert-butyl (2s)-4-oxo-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate, 1-pyrrolidinecarboxylic acid, 4-oxo-2-(3-thiazolidinylcarbonyl)-, 1,1-dimethylethyl ester, (2s)-, (2s)-4-oxo-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester, Mfcd22665915

Molecular Formula

C₁₃H₂₀N₂O₄S

Molecular Weight

300.38 g/mol

InChI Key

ULXKZRPRLJGLDM-JTQLQIEISA-N

1 2D Structure

ULXKZRPRLJGLDM-JTQLQIEISA-N

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl (2S)-4-oxo-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

2.1.2 InChI

InChI=1S/C13H20N2O4S/c1-13(2,3)19-12(18)15-7-9(16)6-10(15)11(17)14-4-5-20-8-14/h10H,4-8H2,1-3H3/t10-/m0/s1

2.1.3 InChI Key

ULXKZRPRLJGLDM-JTQLQIEISA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1CC(=O)CC1C(=O)N2CCSC2

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N2CCSC2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 401564-36-1

2. (2s)-4-oxo-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic Acid Tert-butyl Ester

3. Tert-butyl (2s)-4-oxo-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

4. 1-pyrrolidinecarboxylic Acid, 4-oxo-2-(3-thiazolidinylcarbonyl)-, 1,1-dimethylethyl Ester, (2s)-

5. (2s)-4-oxo-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic Acid 1,1-dimethylethyl Ester

6. Mfcd22665915

7. Amy407

8. Schembl1335681

9. (r)-tert-butyl 4-oxo-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

10. 1415908-67-6

11. Cs-m1874

12. 3-((s)-1-tert-butoxycarbonyl-4-oxo-2-pyrrolidinylcarbonyl)-1,3-thiazolidine

13. Akos024464793

14. Zinc115890614

15. Ds-8331

16. Ac-28917

17. A854792

18. (s)-tert-butyl 3-oxo-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

19. (s)-tert-butyl4-oxo-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

20. Tert-butyl (s)-4-oxo-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

21. (2s)-4-oxo-2-(thiazolidine-3-carbonyl)-pyrrolidine-1-carboxylic Acid Tert-butyl Ester

22. (2s)-4-oxo-2-(thiazolidine-3-ylcarbonyl)pyrrolidine-1-carboxylic Acid Tert-butyl Ester

23. 3-[(2s)-1-(1,1-dimethylethyloxycarbonyl)-4-oxopyrrolidin-2-ylcarbonyl]thiazolidine

24. 1-pyrrolidinecarboxylic Acid,4-oxo-2-(3-thiazolidinylcarbonyl)-,1,1-dimethylethyl Ester,(2s)-

2.3 Create Date

2012-08-19

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₀N₂O₄S
Molecular Weight	300.38 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	300.11437830 g/mol
Monoisotopic Mass	300.11437830 g/mol
Topological Polar Surface Area	92.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	433
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

401564-36-1

Intermediate Name

(2S)-4-oxo-2-(3-thiazolidinylcarbon...

About the Company

Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary locat...

Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.

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