ChemicalBook > CAS DataBase List > 5-BROMOISOQUINOLIN-1(2H)-ONE

5-BROMOISOQUINOLIN-1(2H)-ONE

Product Name
5-BROMOISOQUINOLIN-1(2H)-ONE
CAS No.
190777-77-6
Chemical Name
5-BROMOISOQUINOLIN-1(2H)-ONE
Synonyms
5-bromoisoquinolin-1-ol;5-Bromoisoquinolin-1(2H);5-Bromo-1(2H)-isoquinolinone;5-BROMOISOQUINOLIN-1(2H)-ONE;5-Bromo-2H-isoquinolin-1-one;5-Bromoisoquinolin-1(3H)-one;1(2H)-Isoquinolinone, 5-bromo-;5-bromanyl-2H-isoquinolin-1-one;5-bromo-1,2-dihydroisoquinolin-1-one;5-Bromo-1,2-dihydro-1-oxoisoquinoline
CBNumber
CB22460477
Molecular Formula
C9H6BrNO
Formula Weight
224.05
MOL File
190777-77-6.mol
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5-BROMOISOQUINOLIN-1(2H)-ONE Property

Boiling point:
443.2±45.0 °C(Predicted)
Density 
1.620
storage temp. 
Sealed in dry,Room Temperature
pka
12.19±0.20(Predicted)
form 
solid
color 
Light yellow to light brown
InChI
InChI=1S/C9H6BrNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,(H,11,12)
InChIKey
UKIWLFJYNMJPEG-UHFFFAOYSA-N
SMILES
C1(=O)C2=C(C(Br)=CC=C2)C=CN1
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Safety

HS Code 
2933499090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P271Use only outdoors or in a well-ventilated area.

P309+P311IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

TRC
Product number
B292600
Product name
5-Bromoisoquinolin-1(2H)-one
Packaging
10mg
Price
$45
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB141874
Product name
5-Bromoisoquinolin-1-ol
Packaging
100mg
Price
$65
Updated
2021/12/16
Matrix Scientific
Product number
126188
Product name
5-Bromoisoquinolin-1(2H)-one
Purity
95%
Packaging
1g
Price
$98
Updated
2021/12/16
AK Scientific
Product number
Y5327
Product name
5-Bromoisoquinolin-1-ol
Packaging
250mg
Price
$130
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB141874
Product name
5-Bromoisoquinolin-1-ol
Packaging
250mg
Price
$130
Updated
2021/12/16
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5-BROMOISOQUINOLIN-1(2H)-ONE Chemical Properties,Usage,Production

Synthesis

1109230-25-2

190777-77-6

5-Bromo-3,4-dihydroisoquinolin-1(2H)-one (4.3 g, 18.9 mmol) and 2,3-dicyano-5,6-dichloro-1,4-benzoquinone (8.6 g, 37.9 mmol) were mixed in 1,4-dioxane (76 mL). The reaction mixture was stirred at 100 °C for 24 hours. Upon completion of the reaction, the solvent was removed by evaporation and the residue was dissolved in ethyl acetate (500 mL) and washed with 10% aqueous sodium hydroxide solution (2 x 500 mL). The organic and aqueous layers were separated and the aqueous layer was further extracted with ethyl acetate (4 x 300 mL). All organic layers were combined and dried with anhydrous sodium sulfate, then concentrated by evaporation. The product was purified by fast chromatography with the eluent being a solvent mixture of dichloromethane and methanol (ratio tapered from 99:1 to 96:4) to afford 5-bromoisoquinolin-1(2H)-one (1.49 g, 6.65 mmol, 35% yield) as a yellow solid. The product was analyzed by LCMS showing a purity of 94% with a retention time (Rt) of 1.243 min, and electrospray mass spectrometry (ESMS) showed a molecular ion peak m/z of 224 ([M+H]+).

References

[1] Patent: WO2014/153055, 2014, A2. Location in patent: Paragraph 0120-0121
[2] Patent: WO2015/20553, 2015, A1. Location in patent: Paragraph 00113-00114
[3] Patent: WO2015/50471, 2015, A1. Location in patent: Paragraph 00107; 00108
[4] Patent: WO2015/50472, 2015, A1. Location in patent: Paragraph 00111; 00112

5-BROMOISOQUINOLIN-1(2H)-ONE Preparation Products And Raw materials

Raw materials

Preparation Products

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5-BROMOISOQUINOLIN-1(2H)-ONE Suppliers

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View Lastest Price from 5-BROMOISOQUINOLIN-1(2H)-ONE manufacturers

Henan Aochuang Chemical Co.,Ltd.
Product
5-BROMOISOQUINOLIN-1(2H)-ONE 190777-77-6
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1Ton
Release date
2022-09-22
Career Henan Chemical Co
Product
5-BROMOISOQUINOLIN-1(2H)-ONE 190777-77-6
Price
US $5.50/KG
Min. Order
1KG
Purity
98%min
Supply Ability
1kg-100kg
Release date
2020-01-08

190777-77-6, 5-BROMOISOQUINOLIN-1(2H)-ONERelated Search:

5-Bromoindole-3-carboxaldehyde 5-Bromo-1,2,3,4-tetrahydro-[1,7]naphthyridine 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 5-broMo- 5-BroMo-4-azaindole-3-carbaldehyde 5-BroMo-1H-pyrrole-2-carboxylic acid 1,2-BENZISOXAZOLE, 5-BROMO- 5-Bromo-1-(2methoxyethyl)-1H-indazole METHYL 4,5-DIBROMO-1H-PYRROLE-2-CARBOXYLATE METHYL 5-BROMO-1H-PYRROLE-3-CARBOXYLATE 5-BROMO-1H-PYRROLO[3,2-B] PYRIDINE 5-BroMo-[1,2,4]triazolo[4,3-a]pyrazine 5-bromo-1H,2H,3H-pyrrolo[3,2-b]pyridin-2-one 5-BroMo[1,2,4]triazolo[1,5-a]pyrazine 5-BROMO-1H-INDOL-3-METHYLAMINE 5-BROMO-1H-INDAZOL-3-AMINE 5-BROMO-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID

  • 5-BROMOISOQUINOLIN-1(2H)-ONE
  • 5-Bromo-1(2H)-isoquinolinone
  • 5-bromoisoquinolin-1-ol
  • 5-Bromo-1,2-dihydro-1-oxoisoquinoline
  • 5-Bromo-2H-isoquinolin-1-one
  • 5-Bromoisoquinolin-1(2H)
  • 5-bromanyl-2H-isoquinolin-1-one
  • 5-bromo-1,2-dihydroisoquinolin-1-one
  • 1(2H)-Isoquinolinone, 5-bromo-
  • 5-Bromoisoquinolin-1(3H)-one
  • 190777-77-6