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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

China 119 Germany 2 India 1 United Kingdom 6 United States 13 Global 141
J & K SCIENTIFIC LTD.
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18210857532; 18210857532
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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:

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  • 4-BROMO-1-HYDROXYISOQUINOLINE
  • 4-BROMO-1(2H)-ISOQUINOLONE
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  • 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
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