CAS 277299-70-4

Chemistry, 2 End Use API, 15 Related Intermediates

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Also known as: 277299-70-4, 2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-3h-pyrazol-3-one, 2-(3,4-dimethylphenyl)-5-methyl-1h-pyrazol-3-one, 2-(3,4-dimethyl-phenyl)-5-methyl-1,2-dihydro-pyrazol-3-one, 1-(3,4-dimethylphenyl)-3-methyl-1h-pyrazol-5-ol, 925633-57-4

Molecular Formula

C₁₂H₁₄N₂O

Molecular Weight

202.25 g/mol

InChI Key

HBWBJCSXUJIDGN-UHFFFAOYSA-N

FDA UNII

2AK83UFD4X

1 2D Structure

CAS 277299-70-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one

2.1.2 InChI

InChI=1S/C12H14N2O/c1-8-4-5-11(6-9(8)2)14-12(15)7-10(3)13-14/h4-7,13H,1-3H3

2.1.3 InChI Key

HBWBJCSXUJIDGN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=C(C=C1)N2C(=O)C=C(N2)C)C

2.2 Other Identifiers

2.2.1 UNII

2AK83UFD4X

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 277299-70-4

2. 2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-3h-pyrazol-3-one

3. 2-(3,4-dimethylphenyl)-5-methyl-1h-pyrazol-3-one

4. 2-(3,4-dimethyl-phenyl)-5-methyl-1,2-dihydro-pyrazol-3-one

5. 1-(3,4-dimethylphenyl)-3-methyl-1h-pyrazol-5-ol

6. 925633-57-4

7. 3h-pyrazol-3-one, 2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-

8. 2-(3,4-dimethylphenyl)-5-methyl-1,2-dihydro-3h-pyrazol-3-one

9. 2ak83ufd4x

10. 1-(3,4-dimethylphenyl)-3-methyl-5-pyrazolone

11. Unii-2ak83ufd4x

12. Schembl407138

13. Schembl407942

14. Dtxsid90471326

15. Amy30028

16. Cla29970

17. Zinc9530926

18. Mfcd09795980

19. Stk356566

20. Stk621934

21. Akos002278983

22. Akos005555749

23. Akos025394595

24. Zinc100072421

25. Ac-24708

26. As-19752

27. Da-31279

28. Cs-0153002

29. D5064

30. Ft-0689793

31. Ft-0703365

32. 795d980

33. A854844

34. J-503088

35. 2-(3,4-dimethylphenyl)-5-methyl- 1h-pyrazol-3(2h)-one

36. 2-(3,4-dimethylphenyl)-5-methyl-2,3-dihydro-1h-pyrazol-3-one

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₄N₂O
Molecular Weight	202.25 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	202.110613074 g/mol
Monoisotopic Mass	202.110613074 g/mol
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	298
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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Shanghai Daishang Chemical

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2-(3,4-Dimethylphenyl)-2,4-dihydro-5-methyl-3H-pyrazol-...

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CAS Number

277299-70-4

End Use API

Eltrombopag

About the Company

Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Tech...

Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Technical innovation, Quality Orientation", we practice best of technology innovation, optimized management and robust service system for our customers. Daishang Chem is specialized in the researching, manufacturing, sales and marketing of API & Its Intermediates as well as other Fine Chemicals, taking great advantages of professional and proficient staff, based on three chemical manufacturing sites and one GMP manufacturing workshops in Liaoning, Henan and Zhejiang provinces, and one R&D laboratory in Zhangjiang Hi-tech Park.

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2-(3,4-Dimethyl-phenyl)-5-methyl-1,2-dihydro-pyrazol-3-...

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CAS Number

277299-70-4

End Use API

Eltrombopag

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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