CAS 100331-89-3

Chemistry, 2 End Use API, 8 Related Intermediates

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Also known as: 100331-89-3, 1-(8-(benzyloxy)-2-hydroxyquinolin-5-yl)-2-bromoethanone, 8-(benzyloxy)-5-(2-bromoacetyl)quinolin-2(1h)-one, 8-benzyloxy-5-(2-bromo-acetyl)-1h-quinolin-2-one, 5-(2-bromoacetyl)-8-phenylmethoxy-1h-quinolin-2-one, 8-benzyloxy-5-(2-bromoacetyl)-2(1h)-quinolinone

Molecular Formula

C₁₈H₁₄BrNO₃

Molecular Weight

372.2 g/mol

InChI Key

RVHSDLUBNZBRMH-UHFFFAOYSA-N

1 2D Structure

CAS 100331-89-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(2-bromoacetyl)-8-phenylmethoxy-1H-quinolin-2-one

2.1.2 InChI

InChI=1S/C18H14BrNO3/c19-10-15(21)13-6-8-16(18-14(13)7-9-17(22)20-18)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,22)

2.1.3 InChI Key

RVHSDLUBNZBRMH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)COC2=C3C(=C(C=C2)C(=O)CBr)C=CC(=O)N3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 100331-89-3

2. 1-(8-(benzyloxy)-2-hydroxyquinolin-5-yl)-2-bromoethanone

3. 8-(benzyloxy)-5-(2-bromoacetyl)quinolin-2(1h)-one

4. 8-benzyloxy-5-(2-bromo-acetyl)-1h-quinolin-2-one

5. 5-(2-bromoacetyl)-8-phenylmethoxy-1h-quinolin-2-one

6. 8-benzyloxy-5-(2-bromoacetyl)-2(1h)-quinolinone

7. 2(1h)-quinolinone, 5-(bromoacetyl)-8-(phenylmethoxy)-

8. 8-benzyloxy-5-bromoacetylcarbostyril

9. 1-[8-(benzyloxy)-2-hydroxyquinolin-5-yl]-2-bromoethanone

10. 5-bromoacetyl-8-benzyloxycarbostyril

11. Schembl99439

12. 8-(benzyloxy)-5-(bromoacetyl)quinolin-2(1h)-one

13. Dtxsid50470330

14. Act04908

15. Bcp22356

16. Mfcd09025318

17. Zinc15442646

18. Akos015920361

19. Akos025214116

20. Sb73046

21. Ac-24608

22. Db-004389

23. Cs-0100873

24. Ft-0630054

25. 8-benzyloxy-5-(2-bromoacetyl)quinolin-2(1h)-one

26. 8-benzyloxy 5-(2-bromoacetyl)-1h-quinolin-2-one

27. 8-benzyloxy-5-(2-bromoacetyl)quinoline-2(1h)-one

28. J-000105

29. J-519371

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₄BrNO₃
Molecular Weight	372.2 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	371.01571 g/mol
Monoisotopic Mass	371.01571 g/mol
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	473
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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Guangdong Raffles PharmaTech Co Ltd

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CAS Number

100331-89-3

Intermediate Name

8-Benzyloxy-5-(2-bromoacetyl)-2-hyd...

About the Company

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manuf...

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.

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CAS Number

100331-89-3

Intermediate Name

8-(benzyloxy)-5-(2-bromoacetyl)quin...

About the Company

Scinva is a startup dedicated to offering high-quality products and services, providing a comprehensive r...

Scinva is a startup dedicated to offering high-quality products and services, providing a comprehensive range of services from custom synthesis to the trade of innovative chemicals, intermediates, nutraceuticals, and excipients. Recognizing the evolving landscape of the chemical industry, Scinva focuses on the development, sourcing, and commercialization of novel products. The company aims to explore new areas and address niche markets, providing superior solutions and enhancing productivity throughout the product development cycle for its partners.

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