CAS 52133-67-2

Chemistry, 2 End Use API, 60 Related Intermediates

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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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Prajna Generics

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CAS Number

52133-67-2

Intermediate Name

Ethyl 2-cyano-4,4-diethoxybutanoate

About the Company

Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and ...

Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and Manufacturing APIs and Advanced Intermediates for Active Pharmaceutical Ingredients (APIs) for the global pharmaceutical companies. It provides value-added services in Contract Research, Custom Synthesis, and Specialties Scientific technology (Green Process, APIs Process Development, Polymorphism, Crystallisation and Purification) for Pharmaceutical and Life Sciences industry.

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CAS Number

52133-67-2

Intermediate Name

Ethyl 2-cyano-4,4-diethoxybutanoate

About the Company

VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers wit...

VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers with the highest quality SFC and HPLC purification and isolation solutions that market has to offer. With our 25 years of HPLC experience, we are able to provide variety of products with custom tailored answers for even most difficult separations. Our team of professional Chromatographers is available to assist in HPLC and SFC methods development solutions. Here at VIDGAS we are constantly innovating and pursuing the limits of HPLC and SFC.

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