CAS 769195-26-8

Chemistry, 2 End Use API, 53 Related Intermediates

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Also known as: 769195-26-8, 3-oxo-4-(2,4,5-trifluoro-phenyl)-butyric acid methyl ester, Sitagliptin impurity 12, Methyl 3-oxo-4-(245-trifluorophenyl)butanoate, Schembl725284, Amy8922

Molecular Formula

C₁₁H₉F₃O₃

Molecular Weight

246.18 g/mol

InChI Key

XDQLWVSUKUDAEO-UHFFFAOYSA-N

1 2D Structure

CAS 769195-26-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate

2.1.2 InChI

InChI=1S/C11H9F3O3/c1-17-11(16)4-7(15)2-6-3-9(13)10(14)5-8(6)12/h3,5H,2,4H2,1H3

2.1.3 InChI Key

XDQLWVSUKUDAEO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)CC(=O)CC1=CC(=C(C=C1F)F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 769195-26-8

2. 3-oxo-4-(2,4,5-trifluoro-phenyl)-butyric Acid Methyl Ester

3. Sitagliptin Impurity 12

4. Methyl 3-oxo-4-(245-trifluorophenyl)butanoate

5. Schembl725284

6. Amy8922

7. Dtxsid20652348

8. Bcp13457

9. Mfcd09833197

10. Zinc22010197

11. Akos015855345

12. Ds-15574

13. Cs-0101388

14. Ft-0651720

15. Methyl 4-(2,4,5-trifluorophenyl)acetoacetate

16. I10027

17. Methyl3-oxo-4-(2,4,5-trifluorophenyl)butanoate

18. 195t268

19. A838895

20. 2,4,5-trifluoro-?-oxo-benzenebutanoic Acid Methyl Ester

21. 2,4,5-trifluoro-beta-oxo-benzenebutanoic Acid Methyl Ester

22. 3-oxo-4-(2,4,5-trifluorophenyl)butanoic Acid Methyl Ester

23. 4-(2,4,5-trifluorophenyl)-3-oxobutanoic Acid Methyl Ester

2.3 Create Date

2009-05-28

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₉F₃O₃
Molecular Weight	246.18 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	43.4
Heavy Atom Count	17
Formal Charge	0
Complexity	296
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Aptra Synthesis

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2,4,5-TrifIuoro-§-oxo-benzenebutanoic Acid Methyl Este...

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CAS Number

769195-26-8

End Use API

Aptra Synthesis Private Limited, is a reliable and vertically integrated manufacturer of APIs and interme...

Aptra Synthesis Private Limited, is a reliable and vertically integrated manufacturer of APIs and intermediates, boasting state-of-the-art manufacturing facilities that adhere to GMP standards. We take great pride in producing top-notch intermediates through our fully backward-integrated process. Aptra Synthesis Private Limited (ASPL) stands as one of the rapidly emerging manufacturers of Active Pharmaceutical Ingredients (APIs), Pellets (Semi-finished Formulations), and Intermediates.

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SS Pharma

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Methly 3-Oxo-4-(2,4,5-Trifluorophenly)Butanoate

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CAS Number

769195-26-8

End Use API

Sitagliptin Phosphate

About the Company

SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma i...

SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well as international market. SS Pharma’s research activities extend from the development of active pharmaceuticals to fixed dose formulations for regulated markets. Its manufacturing facilities are state-of-the-art, multipurpose sites that comply with cGMP standards and meet the requirements of the US and EU drug regulatory authorities. SS Pharma is a CGMP, ISO 9001-2008 and ISO 14000:2004 certified company.

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