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[ CAS No. 1214875-36-1 ] {[proInfo.proName]}

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Chemical Structure| 1214875-36-1
Chemical Structure| 1214875-36-1
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Product Details of [ 1214875-36-1 ]

CAS No. :1214875-36-1 MDL No. :MFCD14581529
Formula : C6H3BrClN3 Boiling Point : -
Linear Structure Formula :- InChI Key :WKFCIHMQPLOMFY-UHFFFAOYSA-N
M.W : 232.47 Pubchem ID :57415743
Synonyms :

Safety of [ 1214875-36-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1214875-36-1 ]

* 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.

  • Downstream synthetic route of [ 1214875-36-1 ]

[ 1214875-36-1 ] Synthesis Path-Downstream   1~8

  • 1
  • [ 76537-23-0 ]
  • [ 1214875-36-1 ]
YieldReaction ConditionsOperation in experiment
47.2% With N-Bromosuccinimide In acetonitrile at 20℃; for 2h; 16.2 Step 2: To Compound 16-b (1.2g, 7.8mmol) in 40ml of acetonitrile was added N- bromosuccinimide (1.46g, 8.2mmol), stirred for 2 hours at room temperature. Completion of the reaction, water was added and extracted with ethyl acetate, the combined organic phases separated, dried over anhydrous sodium sulfate, filtered, and the filtrate was concentrated under reduced pressure to give a crude product which, by Combi-flash chromatography [PE: EA = 100: 0 ~ 70: 30 ] to give compound 16-c (850mg), was used directly in the next reaction. Yield: 47.2%, 100% purity.
  • 2
  • [ 1214875-36-1 ]
  • [ 1894233-95-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: sodium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / water; acetonitrile / 4 h / 70 °C / Inert atmosphere 2: 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; caesium carbonate; tris-(dibenzylideneacetone)dipalladium(0) / 1,4-dioxane / 0.42 h / 170 °C / Inert atmosphere; Microwave irradiation
  • 3
  • [ 1214875-36-1 ]
  • [ 1894233-96-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: sodium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / water; acetonitrile / 4 h / 70 °C / Inert atmosphere 2: 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; caesium carbonate; tris-(dibenzylideneacetone)dipalladium(0) / 1,4-dioxane / 0.42 h / 170 °C / Inert atmosphere
  • 4
  • [ 1214875-36-1 ]
  • [ 1894233-97-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: sodium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / water; acetonitrile / 4 h / 70 °C / Inert atmosphere 2: 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; caesium carbonate; tris-(dibenzylideneacetone)dipalladium(0) / 1,4-dioxane / 0.33 h / 160 °C / Inert atmosphere; Microwave irradiation
  • 5
  • [ 1214875-36-1 ]
  • [ 1894233-98-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: sodium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / water; acetonitrile / 4 h / 70 °C / Inert atmosphere 2: 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; caesium carbonate; tris-(dibenzylideneacetone)dipalladium(0) / 1,4-dioxane / 0.33 h / 160 °C / Inert atmosphere; Microwave irradiation
  • 6
  • [ 1214875-36-1 ]
  • [ 1692-25-7 ]
  • [ 1894234-72-0 ]
YieldReaction ConditionsOperation in experiment
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate In water; acetonitrile at 70℃; for 4h; Inert atmosphere; 17.1 Step 1: To Compound 16-c (174mg, 0.75mmol), pyridin-3-yl boronic acid (87mg, 0.71mmol), sodium carbonate (238mg, 2.25mmol) in acetonitrile 8ml / 2ml water was added [1,1 ' - bis (diphenylphosphino) ferrocene] palladium dichloride (27mg, 0.0375mmol), argon, 70 deg. C for 4 hours. Completion of the reaction, cooled to room temperature, extracted with ethyl acetate and water, separated organic phases were combined, washed with brine, the organic phase was separated, dried over anhydrous sodium sulfate, filtered, and the filtrate was concentrated under reduced pressure to give a crude product which, by Combi-flash column chromatography [ PE: EA = 50: 50 ~ 20: 80] to give compound 17-b (87mg), was used directly in the next reaction. Yield: 50.6%,
  • 7
  • [ 1214875-36-1 ]
  • [ 1160181-61-2 ]
  • [ 1894234-71-9 ]
YieldReaction ConditionsOperation in experiment
46.5% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate In water; acetonitrile at 70℃; for 4h; Inert atmosphere; 16.3 Step 3: To Compound 16-c (174mg, 0.75mmol), 1- methyl -1H- pyrrol-3-yl boronic acid (147mg, 0.71mmol), sodium carbonate (238mg, 2.25mmol) in acetonitrile 15ml / 3ml aqueous solution was added [1,1'-bis (diphenylphosphino) ferrocene] palladium dichloride (27mg, 0.0375mmol), argon, 70 deg. C for 4 hours. Completion of the reaction, cooled to room temperature, extracted with ethyl acetate and water, the combined organic phase separated, filtered, and the filtrate was concentrated under reduced pressure to give a crude product which, by Combi-flash chromatography [PE: EA = 60: 40 ~ 40: 60] to give compound 16-d (81mg), was used directly in the next reaction. Yield: 46.5%, 100% purity.
  • 8
  • [ 1214875-36-1 ]
  • [ 761446-44-0 ]
  • [ 1894234-73-1 ]
YieldReaction ConditionsOperation in experiment
61% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate In water; acetonitrile at 70℃; for 4h; Inert atmosphere; 18.1 Step 1: To Compound 16-c (465mg, 2mmol), 1- methyl-4- (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) - 1H- pyrazole (395mg, 1.9mmol), sodium carbonate (636mg, 6mmol) in acetonitrile 40ml / 8ml water was added [1,1'-bis (diphenylphosphino) ferrocene] dichloropalladium (73mg , 0.1mmol), argon, 70 deg. C for 4 hours. Completion of the reaction, cooled to room temperature, extracted with ethyl acetate and water, separated organic phases were combined, washed with brine, the organic phase was separated, dried over anhydrous sodium sulfate, filtered, and the filtrate was concentrated under reduced pressure to give a crude product which, by Combi-flash column chromatography[PE: EA = 50: 50 ~ 0: 100] to give compound 18-b (281mg), was used directly in the next reaction. Yield: 61%, 97% purity.
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