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
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
Safety
- HS Code
- 2933499090
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.
N-Bromosuccinimide Price
- Product number
- B292600
- Product name
- 5-Bromoisoquinolin-1(2H)-one
- Packaging
- 10mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- FB141874
- Product name
- 5-Bromoisoquinolin-1-ol
- Packaging
- 100mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- FB141874
- Product name
- 5-Bromoisoquinolin-1-ol
- Packaging
- 1g
- Price
- $393.75
- Updated
- 2021/12/16
- Product number
- 35616
- Product name
- 5-Bromoisoquinolin-1(2H)-one
- Purity
- 95+%
- Packaging
- 250mg
- Price
- $412
- Updated
- 2021/12/16
- Product number
- Y5327
- Product name
- 5-Bromoisoquinolin-1-ol
- Packaging
- 250mg
- Price
- $130
- Updated
- 2021/12/16
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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View Lastest Price from 5-BROMOISOQUINOLIN-1(2H)-ONE manufacturers
- 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
- 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