Vitalpharms

CAS 52133-67-2

Chemistry, 2 End Use API, 60 Related Intermediates

Manufacturers/Suppliers

2 Suppliers

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Also known as: 52133-67-2, Ethyl 2-cyano-4,4-diethoxybutanoate, Ethyl 2,2-diethoxyethylcyanoacetate, Butanoic acid, 2-cyano-4,4-diethoxy-, ethyl ester, Mfcd02094250, Ethyl-2,2-diethoxythylcyanoacetate

Molecular Formula

C₁₁H₁₉NO₄

Molecular Weight

229.27 g/mol

InChI Key

AHKACZDKUNMFBD-UHFFFAOYSA-N

1 2D Structure

CAS 52133-67-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-cyano-4,4-diethoxybutanoate

2.1.2 InChI

InChI=1S/C11H19NO4/c1-4-14-10(15-5-2)7-9(8-12)11(13)16-6-3/h9-10H,4-7H2,1-3H3

2.1.3 InChI Key

AHKACZDKUNMFBD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(CC(C#N)C(=O)OCC)OCC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 52133-67-2

2. Ethyl 2-cyano-4,4-diethoxybutanoate

3. Ethyl 2,2-diethoxyethylcyanoacetate

4. Butanoic Acid, 2-cyano-4,4-diethoxy-, Ethyl Ester

5. Mfcd02094250

6. Ethyl-2,2-diethoxythylcyanoacetate

7. Ethyl-2-cyano-4,4-diethoxybutanoide

8. 2-cyano-4,4-diethoxy-butyric Acid Ethyl Ester

9. Schembl124942

10. Dtxsid90399970

11. Act02948

12. Amy31942

13. Cs-m3533

14. Ab2838

15. Ethyl-2-cyano-4,4-diethoxybutanoate

16. Ethyl=2-cyano-4,4-diethoxybutanoate

17. Ethyl 2-cyano-4,4-diethoxybutyrate?

18. Akos000281353

19. Akos016842411

20. Pb29184

21. Ac-25498

22. As-15760

23. Sy029877

24. Db-007478

25. Ft-0640047

26. Ethyl Alpha-cyano-gamma,gamma-diethoxybutyrate

27. 2-cyano-4,4-diethoxy Butyric Acid Ethyl Ester

28. 133e672

29. A828944

30. J-520748

31. Ethyl 2-cyano-4,4-diethoxy-butanoate;ethyl 2-cyano-4,4-diethoxybutyrate

2.3 Create Date

2005-09-13

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₉NO₄
Molecular Weight	229.27 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	229.13140809 g/mol
Monoisotopic Mass	229.13140809 g/mol
Topological Polar Surface Area	68.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	240
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

1062580-52-2

End Use API

Tofacitinib Citrate

About the Company

Vitalpharms is an excellent pharmaceutical company specializing into import and export, marketing and dis...

Vitalpharms is an excellent pharmaceutical company specializing into import and export, marketing and distributing of API and intermediates of generics all over the world. The intelligent and professional management and executive team have its expertise into pharmaceutical industries for many years. With the continuous approval of GSP certification, Vitalpharms has been the qualified vendor for the majority of TOP100 pharmaceutical companies in China. Over the past almost 20 years, Vitalpharms has carved a niche for itself in providing value added into import, export, marketing, distributing and project management services.

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