Pmc Isochem

CAS 108963-96-8

Chemistry, 2 End Use API

Chemistry
2 End Use API

Manufacturers/Suppliers

3 Suppliers

3 Suppliers

Also known as: 108963-96-8, Boc-pyr-ome, Methyl l-n-boc-pyroglutamate, 1-tert-butyl 2-methyl (2s)-5-oxopyrrolidine-1,2-dicarboxylate, 1-o-tert-butyl 2-o-methyl (2s)-5-oxopyrrolidine-1,2-dicarboxylate, (s)-1-tert-butyl 2-methyl 5-oxopyrrolidine-1,2-dicarboxylate

Molecular Formula

C₁₁H₁₇NO₅

Molecular Weight

243.26 g/mol

InChI Key

FNTAOUUEQHKLIU-ZETCQYMHSA-N

1 2D Structure

CAS 108963-96-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate

2.1.2 InChI

InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13/h7H,5-6H2,1-4H3/t7-/m0/s1

2.1.3 InChI Key

FNTAOUUEQHKLIU-ZETCQYMHSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1C(CCC1=O)C(=O)OC

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H](CCC1=O)C(=O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 108963-96-8

2. Boc-pyr-ome

3. Methyl L-n-boc-pyroglutamate

4. 1-tert-butyl 2-methyl (2s)-5-oxopyrrolidine-1,2-dicarboxylate

5. 1-o-tert-butyl 2-o-methyl (2s)-5-oxopyrrolidine-1,2-dicarboxylate

6. (s)-1-tert-butyl 2-methyl 5-oxopyrrolidine-1,2-dicarboxylate

7. (s)-5-oxo-pyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester 2-methyl Ester

8. Mfcd06809720

9. Boc-pyr-ome, 97%

10. Methyl (2s)-1-(tert-butoxycarbonyl)pyroglutamate

11. Methyl N-boc-l-pyroglutamate

12. N-boc-l-pyroglutamic Acid M

13. Schembl540990

14. Amy3778

15. Dtxsid10446511

16. 1-(tert-butyl) 2-methyl (s)-5-oxopyrrolidine-1,2-dicarboxylate

17. Act04369

18. Zinc4202561

19. Akos005145518

20. Ac-5690

21. Cs-w003361

22. Ds-1049

23. M2803

24. Methyl (s)-n-tert-butoxycarbonylpyroglutamate

25. Methyl N-(tert-butoxycarbonyl)-l-pyroglutamate

26. 811b483

27. Methyl (s)-boc-5-pyrrolidone-2-carboxylate, 97%

28. Q-101863

29. 1-(tert-butoxycarbonyl)-5-oxo-l-proline Methyl Ester

30. N-(tert-butoxycarbonyl)-l-pyroglutamic Acid Methyl Ester

31. 1-tert-butyl 2-methyl (2s)-5-oxopyrrolidine-1, 2-dicarboxylate

32. Methyl (s)-1-(tert-butoxycarbonyl)-5-oxopyrrolidine-2-carboxylate

33. 1-(1,1-dimethylethyl) 2-methyl (2s)-5-oxo-1,2-pyrrolidine-dicarboxylate

34. 1-(1,1-dimethylethyl) 2-methyl (2s)-5-oxo-1,2-pyrrolidinedicarboxylate

35. (2s)-5-oxo-pyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester 2-methyl Ester

36. (s)-1-(tert-butoxycarbonyl)-5-oxopyrrolidine-2-carboxylic Acid Methyl Ester

37. (s)-1-tert-butyl 2-methyl 5-oxopyrrolidine-1,2-dicarboxylate;methyl Boc-l-pyroglutamate

38. (s)-5-oxopyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester 2-methyl Ester

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₇NO₅
Molecular Weight	243.26 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	243.11067264 g/mol
Monoisotopic Mass	243.11067264 g/mol
Topological Polar Surface Area	72.9 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	344
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

108963-96-8

End Use API

Vixotrigine

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.