7-(4-BROMOBUTOXY)-QUINOLINE-2(1H)-ONE
- Product Name
- 7-(4-BROMOBUTOXY)-QUINOLINE-2(1H)-ONE
- CAS No.
- 203395-59-9
- Chemical Name
- 7-(4-BROMOBUTOXY)-QUINOLINE-2(1H)-ONE
- Synonyms
- Epiprazole impurity 44;Aripiprazole BroMo IMpurity;7-(4-Bromobutoxy)-1H-quinolin-2-one;7-(4-BroMobutoxy)-2(1H)-quinolinone;7-(4-bromobutoxy)quinolin-2(1H)-one;2(1H)-Quinolinone,7-(4- broMobutoxy)-;7-(4-BROMOBUTOXY)-QUINOLINE-2(1H)-ONE;Aripiprazole Bromobutoxyquinolinone Analog;7-(4-Bromobutoxy)quinolin2(1H)-one / Dehydro Impurity;7-(4-BROMOBUTOXY)-QUINOLINE-2(1H)-ONE (Related Reference)
- CBNumber
- CB7648430
- Molecular Formula
- C13H14BrNO2
- Formula Weight
- 296.16
- MOL File
- Mol file
7-(4-BROMOBUTOXY)-QUINOLINE-2(1H)-ONE Property
- Melting point:
- 126-128 °C
- Boiling point:
- 475.3±45.0 °C(Predicted)
- Density
- 1.418±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Dichloromethane
- form
- Solid
- pka
- 11.21±0.70(Predicted)
- color
- Peachy
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 1A02480
- Product name
- Aripiprazole Bromobutoxyquinolinone Analog
- Purity
- Pharmaceutical Analytical Impurity (PAI)
- Packaging
- 25mg
- Price
- $1260
- Updated
- 2025/07/31
- Product number
- B681980
- Product name
- 7-(4-Bromobutoxy)-quinoline-2(1H)-one
- Packaging
- 50mg
- Price
- $1230
- Updated
- 2021/12/16
- Product number
- 9380AF
- Product name
- 7-(4-Bromobutoxy)-quinoline-2(1H)-one
- Packaging
- 1g
- Price
- $61
- Updated
- 2021/12/16
- Product number
- FB19205
- Product name
- 7-(4-Bromobutoxy)-quinoline-2(1H)-one
- Packaging
- 2mg
- Price
- $250
- Updated
- 2021/12/16
- Product number
- FB19205
- Product name
- 7-(4-Bromobutoxy)-quinoline-2(1H)-one
- Packaging
- 5mg
- Price
- $400
- Updated
- 2021/12/16
7-(4-BROMOBUTOXY)-QUINOLINE-2(1H)-ONE Chemical Properties,Usage,Production
Chemical Properties
Peachy Solid
Uses
Aripiprazole Bromo Impurity
Synthesis
129722-34-5
203395-59-9
To a 500 mL two-necked round-bottomed flask equipped with a magnetic stirrer and argon protection was added 7-(4-bromobutoxy)-3,4-dihydro-2(1H)-quinolinone (5b, 10 g, 0.033 mol) and THF (200 mL). To the above mixture was added 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (30.4 g, 0.13 mol) at room temperature with continuous stirring until the reaction was complete (progress of the reaction was monitored by TLC). Upon completion of the reaction, THF was removed by evaporation under reduced pressure.The resulting residue was washed with water (200 mL) and extracted with ethyl acetate (3 x 100 mL). The organic layers were combined, washed with saturated saline, dried over anhydrous Na2SO4 and concentrated under reduced pressure to obtain the crude product. The crude product was purified by column chromatography using ethyl acetate and hexane as eluents to afford the target compound 7-(4-bromobutoxy)-2(1H)-quinolinone (8b). Yield: 98.99% (9.8 g). 1H NMR (400 MHz, DMSO-d6) δ 11.57 (s, 1H), 7.77 (d, J = 9.4 Hz, 1H), 7.53 (d, J = 9.4 Hz, 1H), 6.83-6.69 (m, 2H), 6.27 (d, J = 9.6 Hz, 1H), 4.02 (t, J = 6.1 Hz, 2H), 3.59 (t, J = 6.6 Hz, 2H), 2.03-1.89 (m, 2H), 1.89-1.74 (m, 2H). 13C NMR (100 MHz, DMSO-d6): δ 162.67, 160.72, 141.05, 140.44, 129.69, 118.97, 113.77, 111.19, 99.05, 67.28, 35.26, 29.46, 27.74; δ 296 [t = 6.6 Hz], 2.03-1.89 (m, 2H), 1.89-1.74 (m, 2H). ESI-MS: 296 [M + H]+. HPLC purity: 99.26% [retention time: 11.545 min; detection wavelength: 210 nm; column: X Bridge C-18, 150×4.6 mm, particle size 5 μm; mobile phase: A) 0.1% TFA aqueous solution, B) acetonitrile; gradient program: 0 min/10% B, 3 min/10% B, 15 min/95% B, 23 min/95% B, 25 min/95% B, 25 min/95% B, 23 min/95% B, 23 min/95% B, 23 min/95% B, 23 min/95% B, 23 min/95% B. 23 min/95% B, 25 min/10% B, 30 min/10% B; Flow rate: 1.0 mL/min; Diluent: acetonitrile:water (80:20)]. The 1H NMR spectral data of compound 8b is in agreement with the values reported in the literature.
References
[1] Journal of Chemical Sciences, 2018, vol. 130, # 6,
[2] Synthetic Communications, 2007, vol. 37, # 24, p. 4337 - 4341
7-(4-BROMOBUTOXY)-QUINOLINE-2(1H)-ONE Preparation Products And Raw materials
Raw materials
Preparation Products
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