Beijing Mesochem Technology

IFAMSTPTNRJBRG-UHFFFAOYSA-N

Chemistry, 1 End Use API, 21 Related Intermediates

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Also known as: 134795-25-8, 291775-59-2, 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid, (1r,3s,4s)-n-boc-2-azabicyclo[2.2.1]heptane-3-carboxylic acid, (3s)-n-boc-2-azabicyclo[2.2.1]heptane-3-carboxylic acid, (1s,3r,4r)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid

Molecular Formula

C₁₂H₁₉NO₄

Molecular Weight

241.28 g/mol

InChI Key

IFAMSTPTNRJBRG-UHFFFAOYSA-N

1 2D Structure

IFAMSTPTNRJBRG-UHFFFAOYSA-N

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid

2.1.2 InChI

InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-8-5-4-7(6-8)9(13)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)

2.1.3 InChI Key

IFAMSTPTNRJBRG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1C2CCC(C2)C1C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 134795-25-8

2. 291775-59-2

3. 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid

4. (1r,3s,4s)-n-boc-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid

5. (3s)-n-boc-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid

6. (1s,3r,4r)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid

7. 869682-22-4

8. Schembl203763

9. (1s,3r,4s)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid

10. Racemic-(3s)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid

11. Bcp26040

12. 2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylicacid

13. Mfcd17926552

14. Ab86149

15. Sb15907

16. Sb15908

17. Am803168

18. As-41719

19. Db-063042

20. Cs-0135331

21. Ft-0709571

22. Ft-0773795

23. J-017424

24. 2-(t-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid

25. 2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid

26. 2-aza-bicyclo[2.2.1]heptane-2,3-dicarboxylic Acid 2-tert-butyl Ester

27. 2-azabicyclo[2.2.1]heptane-2,3-dicarboxylic Acid 2-tert-butyl Ester

28. (1r,3s,4s)-2-(tert-butoxycarbonyl)-2-aza-bicyclo[2.2.1]heptane-3-carboxylic Acid

29. (1r,3s,4s)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid

30. 2-azabicyclo[2.2.1]heptane-2,3-dicarboxylic Acid, 2-(1,1-dimethylethyl) Ester, (1s,3s,4r)-

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₉NO₄
Molecular Weight	241.28 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	241.13140809 g/mol
Monoisotopic Mass	241.13140809 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	347
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

CAS-1378387-81-5

End Use API

Ledipasvir

About the Company

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.

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