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[ CAS No. 252331-63-8 ] {[proInfo.proName]}

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Chemical Structure| 252331-63-8
Chemical Structure| 252331-63-8
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Product Details of [ 252331-63-8 ]

CAS No. :252331-63-8 MDL No. :MFCD19689657
Formula : C11H9BrF3NO Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 308.09 Pubchem ID :-
Synonyms :

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Application In Synthesis of [ 252331-63-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 252331-63-8 ]
  • Downstream synthetic route of [ 252331-63-8 ]

[ 252331-63-8 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 252331-63-8 ]
  • [ 726136-49-8 ]
  • [ 226942-29-6 ]
  • [ 75416-51-2 ]
YieldReaction ConditionsOperation in experiment
22% With water; sodium carbonate In methanolHeating / reflux To a solution of methanol (20 mL) and saturated sodium carbonate solution (20 mL) are added a mixture of l-(6-Bromo-3,4-dihydro-lH-isoquinolin-2-yl)-2,2,2-trifluoro- ethanone and l-(8-bromo-3,4-dihydro-lH-isoquinolin-2-yl)-2,2,2-trifluoro-ethanone (3 g, 9.7 mmol). The reaction mixture is refluxed overnight, concentrated and the residue is extracted with dichloromethane. The combined organic layers are washed with water and brine, dried over sodium sulfate and the solvent is evaporated. The crude product is purified by column chromatography (silica gel, 230-400 mesh) using 0-2percent methanol in chloroform as eluent to obtain 8-bromo-l,2,3,4-tetrahydro-isoquinoline as colorless viscous oil (first fraction, 0.45 g, 22percent) and 6-Bromo-l,2,3,4-tetrahydro-isoquinoline as white solid (second fraction, 1.0 g, 48percent). MS m/z 211.9 (M+l)
Reference: [1] Patent: WO2008/76954, 2008, A2, . Location in patent: Page/Page column 50
[2] Patent: US2008/171754, 2008, A1, . Location in patent: Page/Page column 101; 102
[3] Patent: WO2009/39134, 2009, A1, . Location in patent: Page/Page column 179
[4] Patent: WO2006/65215, 2006, A1, . Location in patent: Page/Page column 17; 24
[5] Patent: WO2006/65216, 2006, A1, . Location in patent: Page/Page column 16; 24
  • 2
  • [ 252331-63-8 ]
  • [ 726136-49-8 ]
  • [ 226942-29-6 ]
  • [ 75416-51-2 ]
YieldReaction ConditionsOperation in experiment
22% With water; sodium carbonate In methanolHeating / reflux To a solution of methanol (20 mL) and saturated sodium carbonate solution (20 mL) are added a mixture of l-(6-Bromo-3,4-dihydro-lH-isoquinolin-2-yl)-2,2,2-trifluoro- ethanone and l-(8-bromo-3,4-dihydro-lH-isoquinolin-2-yl)-2,2,2-trifluoro-ethanone (3 g, 9.7 mmol). The reaction mixture is refluxed overnight, concentrated and the residue is extracted with dichloromethane. The combined organic layers are washed with water and brine, dried over sodium sulfate and the solvent is evaporated. The crude product is purified by column chromatography (silica gel, 230-400 mesh) using 0-2percent methanol in chloroform as eluent to obtain 8-bromo-l,2,3,4-tetrahydro-isoquinoline as colorless viscous oil (first fraction, 0.45 g, 22percent) and 6-Bromo-l,2,3,4-tetrahydro-isoquinoline as white solid (second fraction, 1.0 g, 48percent). MS m/z 211.9 (M+l)
Reference: [1] Patent: WO2008/76954, 2008, A2, . Location in patent: Page/Page column 50
[2] Patent: US2008/171754, 2008, A1, . Location in patent: Page/Page column 101; 102
[3] Patent: WO2009/39134, 2009, A1, . Location in patent: Page/Page column 179
[4] Patent: WO2006/65215, 2006, A1, . Location in patent: Page/Page column 17; 24
[5] Patent: WO2006/65216, 2006, A1, . Location in patent: Page/Page column 16; 24
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