ChemicalBook > CAS DataBase List > 3-Chloro-6-fluoro-isoquinoline
3-Chloro-6-fluoro-isoquinoline
- Product Name
- 3-Chloro-6-fluoro-isoquinoline
- CAS No.
- 1041423-28-2
- Chemical Name
- 3-Chloro-6-fluoro-isoquinoline
- Synonyms
- 3-Chloro-6-fluoro-isoquinoline;Isoquinoline, 3-chloro-6-fluoro-
- CBNumber
- CB43126116
- Molecular Formula
- C9H5ClFN
- Formula Weight
- 181.59
- MOL File
- 1041423-28-2.mol
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3-Chloro-6-fluoro-isoquinoline Property
- Boiling point:
- 295.6±20.0 °C(Predicted)
- Density
- 1.366±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 1.71±0.38(Predicted)
- Appearance
- Off-white to light yellow Solid
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N-Bromosuccinimide Price
TRC
- Product number
- C369973
- Product name
- 3-Chloro-6-fluoroisoquinoline
- Packaging
- 25mg
- Price
- $265
- Updated
- 2021/12/16
AK Scientific
- Product number
- 6758DN
- Product name
- 3-Chloro-6-fluoroisoquinoline
- Packaging
- 100mg
- Price
- $366
- Updated
- 2021/12/16
AK Scientific
- Product number
- 6758DN
- Product name
- 3-Chloro-6-fluoroisoquinoline
- Packaging
- 250mg
- Price
- $487
- Updated
- 2021/12/16
J&W Pharmlab
- Product number
- 80R0391
- Product name
- 3-Chloro-6-fluoro-isoquinoline
- Purity
- 96%
- Packaging
- 1g
- Price
- $598
- Updated
- 2021/12/16
Ambeed
- Product number
- A119900
- Product name
- 3-Chloro-6-fluoroisoquinoline
- Purity
- 95%
- Packaging
- 5g
- Price
- $688
- Updated
- 2021/12/16
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3-Chloro-6-fluoro-isoquinoline Chemical Properties,Usage,Production
Synthesis
1041423-26-0
1041423-28-2
General procedure for the synthesis of 3-chloro-6-fluoroisoquinoline using 1,3-dichloro-6-fluoroisoquinoline as starting material: hydriodic acid (20 mL, 45% aqueous solution) and red phosphorus (0.9 g, 28.9 mmol) were added to a stirring solution of 1,3-dichloro-6-fluoroisoquinoline (2.5 g, 11.6 mmol) in acetic acid (40 mL) at room temperature. The reaction mixture was stirred at 100 °C for 4 hours. After the reaction was completed, it was cooled to room temperature and the mixture was concentrated under reduced pressure. The residue was dissolved in dichloromethane (100 mL) and washed with saturated aqueous sodium bicarbonate (2 x 100 mL). The organic layer was dried over anhydrous sodium sulfate and filtered. The filtrate was concentrated under reduced pressure to give 3-chloro-6-fluoroisoquinoline as a dark gray solid. Mass spectrum (ESI, m/z): 182.0 [M + 1]+; 1H NMR (400 MHz, DMSO-d6) δ 9.24 (s, 1H), 8.32-8.29 (m, 1H), 8.04 (s, 1H), 7.82-7.76 (m, 1H), 7.66-7.61 (m, 1H).
References
[1] Journal of Medicinal Chemistry, 2016, vol. 59, # 10, p. 4778 - 4789
[2] Patent: WO2015/188368, 2015, A1. Location in patent: Page/Page column 52-53
[3] Patent: WO2007/240, 2007, A1. Location in patent: Page/Page column 110-111
[4] Patent: WO2008/77554, 2008, A1. Location in patent: Page/Page column 110
3-Chloro-6-fluoro-isoquinoline Preparation Products And Raw materials
Raw materials
Preparation Products
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