Shenzhen Hwagen Pharmaceutical

CAS 32807-28-6

Chemistry, 2 End Use API, 38 Related Intermediates

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Also known as: 32807-28-6, Methyl 4-chloro-3-oxobutanoate, Methyl 4-chloro-3-oxo-butanoate, Butanoic acid, 4-chloro-3-oxo-, methyl ester, Methyl 4-chloro-3-oxobutyrate, 4-chloroacetoacetic acid methyl ester

Molecular Formula

C₅H₇ClO₃

Molecular Weight

150.56 g/mol

InChI Key

HFLMYYLFSNEOOT-UHFFFAOYSA-N

FDA UNII

FVC6V863Y2

1 2D Structure

CAS 32807-28-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 4-chloro-3-oxobutanoate

2.1.2 InChI

InChI=1S/C5H7ClO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3

2.1.3 InChI Key

HFLMYYLFSNEOOT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)CC(=O)CCl

2.2 Other Identifiers

2.2.1 UNII

FVC6V863Y2

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 32807-28-6

2. Methyl 4-chloro-3-oxobutanoate

3. Methyl 4-chloro-3-oxo-butanoate

4. Butanoic Acid, 4-chloro-3-oxo-, Methyl Ester

5. Methyl 4-chloro-3-oxobutyrate

6. 4-chloroacetoacetic Acid Methyl Ester

7. Methyl-4-chloroacetoacetate

8. Mfcd00000938

9. Acetoacetic Acid, 4-chloro-, Methyl Ester

10. Fvc6v863y2

11. 4-chloro-3-oxobutanoic Acid Methyl Ester

12. Methyl Gamma-chloroacetoacetate

13. Einecs 251-230-5

14. Brn 1759939

15. Methyl Chloroacetoacetate

16. Methyl 4-chloroacetoaceate

17. Methyl 4-chloro-acetoacetate

18. Unii-fvc6v863y2

19. Schembl56154

20. 3-03-00-01207 (beilstein Handbook Reference)

21. Methyl-gamma-chloroacetoacetate

22. Chembl173804

23. Dtxsid0067719

24. Methyl 4-chloro-3-oxo-butyrate

25. Methyl .gamma.-chloroacetoacetate

26. Methyl .omega.-chloroacetoacetate

27. Methyl 4-chloro-3-oxobutanoate #

28. Methyl 4-chloroacetoacetate, 97%

29. Bcp19731

30. Str04472

31. Akos000119618

32. 4-chloro Aceto Acetic Acid Methyl Ester

33. (r)-2-hydroxymethyl-pentanoicacid

34. 4-chloro-3-oxo-butyric Acid Methyl Ester

35. 4-chloro-3-oxobutanoic Acid, Methyl Ester

36. 4-chloro-3-oxobutanoic Acid. Methyl Ester

37. .gamma.-chloroacetoacetic Acid, Methyl Ester

38. Cs-0044248

39. Ft-0618156

40. Methyl 4-chloranyl-3-oxidanylidene-butanoate

41. En300-19679

42. S12341

43. A821427

44. W-106820

45. F0001-0971

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₅H₇ClO₃
Molecular Weight	150.56 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	43.4
Heavy Atom Count	9
Formal Charge	0
Complexity	121
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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CAS Number

1246616-66-9

End Use API

Dolutegravir Sodium

About the Company

Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...

Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.

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