ChemicalBook > CAS DataBase List > 4-BROMO-1(2H)-ISOQUINOLONE

4-BROMO-1(2H)-ISOQUINOLONE

Product Name: 4-BROMO-1(2H)-ISOQUINOLONE
CAS No.: 3951-95-9
Chemical Name: 4-BROMO-1(2H)-ISOQUINOLONE
Synonyms: 4-bromoisocarbostyril;4-Bromoisoquinolin-1-ol;4-BROMO-1(2H)-ISOQUINOLONE;4-BROMO-2H-ISOQUINOLIN-1-ONE;4-broMoisoquinolin-1(2H)-one;4-Bromo-1(2H)-isoquinolinone;4-BROMO-1-HYDROXYISOQUINOLINE;1(2H)-Isoquinolinone, 4-bromo-;4-Bromo-1(2H)-isoquinolone;4-bromo-1,2-dihydroisoquinolin-1-one
CBNumber: CB4757050
Molecular Formula: C9H6BrNO
Formula Weight: 224.05
MOL File: 3951-95-9.mol

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4-BROMO-1(2H)-ISOQUINOLONE Property

Melting point:: 248-249 °C (decomp)(Solv: acetic acid (64-19-7); water (7732-18-5))
Boiling point:: 408.0±45.0 °C(Predicted)
Density: 1.666±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: 11.91±0.40(Predicted)
Appearance: White to light brown Solid
InChIKey: ZOPUFLIYIMVOGZ-UHFFFAOYSA-N

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Safety

Hazard Codes: Xi
Risk Statements: 36
Safety Statements: 26
WGK Germany: 3
HS Code: 2933499090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word: Warning
Hazard statements: H319Causes serious eye irritation
Precautionary statements: P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: SYX00211
Product name: 4-Bromo-1(2H)-isoquinolone
Purity: Aldrich
Packaging: 1g
Price: $497
Updated: 2025/07/31

TRC

Product number: B686918
Product name: 4-Bromoisoquinolin-1(2H)-one
Packaging: 50mg
Price: $60
Updated: 2021/12/16

Frontier Specialty Chemicals

Product number: CAPOB11661
Product name: 4-Bromoisoquinolin-1-ol
Purity: 98%
Packaging: 500mg
Price: $40
Updated: 2021/12/16

Apolloscientific

Product number: OR17550
Product name: 4-Bromo-1-hydroxyisoquinoline
Packaging: 1g
Price: $45
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4H01-9-Y6
Product name: 4-Bromo-1-hydroxyisoquinoline
Packaging: 1g
Price: $50
Updated: 2021/12/16

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4-BROMO-1(2H)-ISOQUINOLONE Chemical Properties,Usage,Production

Synthesis

491-30-5

3951-95-9

General procedure for the synthesis of 4-bromo-1(2H)-isoquinolinone from 1-hydroxyisoquinoline: N-bromosuccinimide (NBS, 142 mg, 0.796 mmol) was added to a solution of DMF (2 mL) containing isoquinolin-1(2H)-one (105 mg, 0.723 mmol). The reaction mixture was stirred at room temperature for 2 hours. After completion of the reaction, the mixture was concentrated to remove the solvent. The crude product was purified by preparative high performance liquid chromatography (HPLC) to afford the intermediate 6 4-bromoisoquinolin-1(2H)-one (110 mg, 68% yield). [C] MS (ESI) m/z: 223.9 (M + H)+. 1H NMR (500 MHz, DMSO-d6) δ 11.57 (br.s, 1H), 8.24 (dd, J = 8.0, 0.8 Hz, 1H), 7.88-7.83 (m, 1H), 7.79-7.75 (m, 1H), 7.61 (ddd, J = 8.0, 7.1, 1.1 Hz, 1H), 7.55 (s, 1H).

References

[1] Journal of Medicinal Chemistry, 2014, vol. 57, # 4, p. 1299 - 1322
[2] Angewandte Chemie - International Edition, 2011, vol. 50, # 36, p. 8416 - 8419
[3] Synthetic Communications, 2007, vol. 37, # 23, p. 4199 - 4208
[4] Patent: US2014/206686, 2014, A1. Location in patent: Paragraph 0497-0499
[5] Patent: WO2016/69976, 2016, A1. Location in patent: Page/Page column 91

4-BROMO-1(2H)-ISOQUINOLONE Preparation Products And Raw materials

Raw materials

Preparation Products

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4-BROMO-1(2H)-ISOQUINOLONE Suppliers

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View Lastest Price from 4-BROMO-1(2H)-ISOQUINOLONE manufacturers

Career Henan Chemical Co

Product: 4-BROMO-1(2H)-ISOQUINOLONE 3951-95-9
Price: US $6.68/KG
Min. Order: 1KG
Purity: 97%-99%
Supply Ability: 1kg-1000kg
Release date: 2020-01-10

3951-95-9, 4-BROMO-1(2H)-ISOQUINOLONERelated Search:

4-broMo-2-(trifluoroMethyl)pyriMidine 4-BROMO-6,7-DIMETHOXYQUINOLINE 4-bromo-1,5-dimethyl-1H-pyrazole 3-(4-BROMO-PYRAZOL-1-YLMETHYL)-PYRIDINE 7-BROMO-1(2H)-ISOQUINOLONE 4-bromo-2-methyl-isoquinolin-1-one Isocarbostyril 2-Hydroxy-5-bromopyridine 4-Bromoisoquinoline 4-BROMO-1-METHOXYISOQUINOLINE 4-BROMO-1(2H)-ISOQUINOLONE

4-BROMO-2H-ISOQUINOLIN-1-ONE

4-BROMO-1-HYDROXYISOQUINOLINE

4-BROMO-1(2H)-ISOQUINOLONE

4-bromoisocarbostyril

4-Bromo-1(2H)-isoquinolinone

4-Bromoisoquinolin-1-ol

4-Bromoisoquinolin-1-ol, 4-Bromoisoquinolin-1(2H)-one

4-broMoisoquinolin-1(2H)-one

4-bromo-1,2-dihydroisoquinolin-1-one

1(2H)-Isoquinolinone, 4-bromo-

4-BROMO-1(2H)-ISOQUINOLONE ISO 9001：2015 REACH

4-Bromo-1(2<i>H</i>)-isoquinolone

3951-95-9

Building Blocks

Isoquinoline

organic building block