Identification | Back Directory | [Name]
1,6-DIBROMO-3-ISOQUINOLINAMINE | [CAS]
925672-85-1 | [Synonyms]
1,6-DIBROMO-3-ISOQUINOLINAMINE 3-Isoquinolinamine, 1,6-dibromo- | [Molecular Formula]
C9H6Br2N2 | [MDL Number]
MFCD09999214 | [MOL File]
925672-85-1.mol | [Molecular Weight]
301.97 |
Chemical Properties | Back Directory | [Boiling point ]
439.9±40.0 °C(Predicted) | [density ]
1.994±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [pka]
1.16±0.50(Predicted) |
Hazard Information | Back Directory | [Synthesis]
The general procedure for the synthesis of 1,6-dibromoisoquinolin-3-amine from 5-bromo-2-cyanophenylacetonitrile was as follows: 4-bromo-2-(cyanomethyl)benzonitrile (75 g, 339 mmol) was dissolved in 2,2-dichloroacetic acid (150 mL, 339 mmol). The reaction mixture was cooled to 0°C in an ice water bath. HBr gas (27.5 g, 339 mmol) was passed into the cooled solution until a yellow precipitate was observed to precipitate and form a yellow slurry. The passage of HBr gas was continued for 5 min. Subsequently, the reaction mixture was slowly warmed up to room temperature over a period of 1 hour. The slurry was again cooled to 0 °C in an ice water bath and ether (200 mL) was added. The mixture was stirred at 5 °C for 20 min. The yellow solid product was collected by filtration to give 1,6-dibromoisoquinolin-3-amine (42 g, 41% yield). lcms (API-ES) m/z: 303 (M + H+). | [References]
[1] Tetrahedron Letters, 2007, vol. 48, # 3, p. 487 - 489 [2] Patent: WO2009/11871, 2009, A2. Location in patent: Page/Page column 188; 189 [3] Patent: WO2009/11880, 2009, A2. Location in patent: Page/Page column 159-160 [4] Patent: WO2010/83246, 2010, A1. Location in patent: Page/Page column 54; 55 |
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Energy Chemical
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http://www.energy-chemical.com |
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