Ningbo Chemgoo Pharma Tech

CAS 1378388-16-9

Chemistry, 3 End Use API, 12 Related Intermediates

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Also known as: 1378388-16-9, (2s,4s)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid, N-tert-butoxycarbonyl-(4s)-4-methoxymethyl-l-proline, Schembl6120100, Amy4213, Dtxsid601121035

Molecular Formula

C₁₂H₂₁NO₅

Molecular Weight

259.30 g/mol

InChI Key

OHPUCEUCBHBIAW-IUCAKERBSA-N

1 2D Structure

CAS 1378388-16-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

2.1.2 InChI

InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-8(7-17-4)5-9(13)10(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m0/s1

2.1.3 InChI Key

OHPUCEUCBHBIAW-IUCAKERBSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)COC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1378388-16-9

2. (2s,4s)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic Acid

3. N-tert-butoxycarbonyl-(4s)-4-methoxymethyl-l-proline

4. Schembl6120100

5. Amy4213

6. Dtxsid601121035

7. Mfcd29035280

8. Akos027250599

9. Zinc140039441

10. Hy-w022138

11. Ac-28748

12. Ds-11596

13. Cs-0040636

14. Y10154

15. A886392

16. (2s,4s)-1-(boc)-4-(methoxymethyl)pyrrolidine-2-carboxylic Acid

17. (2s,4s)-1-(ter-butoxycarbonyl)-4-(methoxymethyl)pyrrolidine-2-carboxylic Acid

18. (2s,4s)-1-(tert-butoxy Carbonyl)-4-(methoxy Methyl)pyrrolidine-2- Carboxylic Acid

19. (2s,4s)-1-(tert-butoxycarbonyl)-4-(methoxymethyl)pyrrolidine-2-carboxylicacid

20. (2s,4s)-1-(tert-butoxycarbonyl)-4-(methoxymethyl)pyrrolidine-2-carboxylic Acid;(2s,4s)-1-(tert-butoxycarbonyl)-4-(methoxymethyl)pyrrolidine-2-carboxylic Acid;(2s,4s)-4-(methoxymethyl)-1,2-pyrrolidinedicarboxylicacid1-(1,1-dimethylethyl)ester;gs-5816interm

21. 1,2-pyrrolidinedicarboxylic Acid, 4-(methoxymethyl)-, 1-(1,1-dimethylethyl) Ester, (2s,4s)-

2.3 Create Date

2012-12-01

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₁NO₅
Molecular Weight	259.30 g/mol
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	259.14197277 g/mol
Monoisotopic Mass	259.14197277 g/mol
Topological Polar Surface Area	76.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	323
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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

946525-30-0

End Use API

Velpatasvir

About the Company

Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technolog...

Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technology development and industrialization. We provide intermediates from gram scale to hundreds of Kg to domestic and abroad customers in pharmaceutical area. The R&D center occupies around 3,000m2, equipped with gram scale labs, pilot labs, analysis center, safety assessment lab and platform for flow chemistry. The company has successfully developed more than 60 projects. The main products of Telmisartan intermediates widely win good reputation in markets.

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