CAS 110543-98-1

Chemistry, 1 End Use API, 2 Related Intermediates

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Also known as: 110543-98-1, Ethyl 5-acetoxy-6-bromo-2-(bromomethyl)-1-methylindole-3-carboxylate, Ethyl 5-acetyloxy-6-bromo-2-(bromomethyl)-1-methylindole-3-carboxylate, Ethyl 5-(acetyloxy)-6-bromo-2-(bromomethyl)-1-methyl-1h-indole-3-carboxylate, Mfcd00407019, 1h-indole-3-carboxylic acid, 5-(acetyloxy)-6-bromo-2-(bromomethyl)-1-methyl-, ethyl ester

Molecular Formula

C₁₅H₁₅Br₂NO₄

Molecular Weight

433.09 g/mol

InChI Key

MESMQGKAVXOGHJ-UHFFFAOYSA-N

1 2D Structure

CAS 110543-98-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 5-acetyloxy-6-bromo-2-(bromomethyl)-1-methylindole-3-carboxylate

2.1.2 InChI

InChI=1S/C15H15Br2NO4/c1-4-21-15(20)14-9-5-13(22-8(2)19)10(17)6-11(9)18(3)12(14)7-16/h5-6H,4,7H2,1-3H3

2.1.3 InChI Key

MESMQGKAVXOGHJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CBr

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 110543-98-1

2. Ethyl 5-acetoxy-6-bromo-2-(bromomethyl)-1-methylindole-3-carboxylate

3. Ethyl 5-acetyloxy-6-bromo-2-(bromomethyl)-1-methylindole-3-carboxylate

4. Ethyl 5-(acetyloxy)-6-bromo-2-(bromomethyl)-1-methyl-1h-indole-3-carboxylate

5. Mfcd00407019

6. 1h-indole-3-carboxylic Acid, 5-(acetyloxy)-6-bromo-2-(bromomethyl)-1-methyl-, Ethyl Ester

7. Bromindole

8. C15h15br2no4

9. Arbidol Impurity 7

10. Chemdiv1_011736

11. Schembl9585968

12. Hms620f10

13. Dtxsid30149294

14. Zinc847306

15. Act06259

16. Bbl003315

17. Ethyl5-acetoxy-6-bromo-2-(bromomethyl)-1-methylindole-3-.

18. Stk281838

19. Akos000271428

20. Ds-14198

21. Sy016502

22. Db-060007

23. Cs-0438660

24. Eu-0052337

25. Ft-0688151

26. 543e981

27. A894882

28. Sr-01000321348

29. Sr-01000321348-1

30. N-ethyl-n-((5-methyl-7-nitro-1h-indol-3-yl)methyl)ethanamine

31. Ethyl 5-acetoxy-6-bromo-2-bromomethyl-1-methyl-1 H -indole-3-carboxylate

32. Ethyl1-methyl-2-bromomethyl-5-acetoxy-6-bromo-1h-indole-3-carboxylate

33. 5-acetoxy-6-bromo-2-bromomethyl-1-methyl-1h-indole-3-carboxylic Acid, Ethyl Ester

2.3 Create Date

2005-07-10

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₅Br₂NO₄
Molecular Weight	433.09 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	432.93473 g/mol
Monoisotopic Mass	430.93678 g/mol
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	434
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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Ethyl 5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate (M...

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CAS Number

15574-49-9

End Use API

Umifenovir

About the Company

Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bu...

Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bulk Actives including Deuterated Actives, Advanced Intermediates and up the value chain. With experience, Anvitha Life Care Private Limited has knowledge and expertise as a leader in chemical research. Every decision is inspired by our main mission, which is to provide the highest standard of product and services to our clients. In this rapidly changing industry, we’ve realized the importance of continually updating our approach to stay relevant in the market, and are committed to just that.

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Ethyl 6-bromo-5-hyd roxy- -methyl-2-(p henylsuI anylme...

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CAS Number

131707-24-9

End Use API

Umifenovir

About the Company

Founded in 2005, Hangzhou Deli Chemical Co., Ltd. is a specialized manufacturing factory of APIs, pharmac...

Founded in 2005, Hangzhou Deli Chemical Co., Ltd. is a specialized manufacturing factory of APIs, pharmaceutical intermediates and other chemicals, with production bases in Huzhou, Yuhang and Jiande. Our first factory is located in Tangxi Industrial Park of Yuhang District in Hangzhou city, with over 110,000 sqm of lands. There are independent R&D team and well-trained workforces in our company. Well-known for complete production equipments, advanced production methods and a full suite of inspection facilities, we develop, design and produce independently. In collaboration with laboratories of Zhejiang University

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