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Chemical Structure| 34662-31-2 Chemical Structure| 34662-31-2

Structure of 34662-31-2

Chemical Structure| 34662-31-2

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Product Details of [ 34662-31-2 ]

CAS No. :34662-31-2
Formula : C7H3ClN2O2
M.W : 182.56
SMILES Code : [O-][N+](=O)C1=C(C=C(Cl)C=C1)C#N
MDL No. :MFCD00007286
InChI Key :HPWJUEZFOUOUEO-UHFFFAOYSA-N
Pubchem ID :100506

Safety of [ 34662-31-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302+H312+H332-H315-H319-H335
Precautionary Statements:P261-P280-P305+P351+P338

Application In Synthesis of [ 34662-31-2 ]

* 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 [ 34662-31-2 ]

[ 34662-31-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 34662-31-2 ]
  • [ 349-58-6 ]
  • [ 38710-84-8 ]
  • 2
  • [ 109-11-5 ]
  • [ 34662-31-2 ]
  • [ 927870-46-0 ]
YieldReaction ConditionsOperation in experiment
With caesium carbonate;tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 120℃; for 24h; A suspension of 5-chloro-2-nitrobenzonitrile (2.41 g), <strong>[109-11-5]morpholin-3-one</strong> (2 g), cesium carbonate (6.45 g), tris(dibenzylideneacetone)dipalladium (120 mg) and 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene (230 mg) in 30 ml dioxane was heated for 24 h at 120 C. The reaction mixture was cooled to 25 C., diluted with CH2Cl2 and filtered through decalite. The organic layer was washed with water and brine and purified by chromatography (silica gel, AcOEt) to yield 2-nitro-5-(3-oxo-morpholin-4-yl)-benzonitrile as a yellow solid (1.77 g). MH+=248.3
With caesium carbonate;tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 120℃; A suspension of 5-chloro-2-nitrobenzonitrile (2.41 g), <strong>[109-11-5]morpholin-3-one</strong> (2 g), cesium carbonate (6.45 g), tris(dibenzylideneacetone)dipalladium (120 mg) and 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene (230 mg) in dioxane (30 ml) was heated overnight at 120 C. The reaction mixture was cooled, diluted with CH2Cl2 and filtered through decalite. Extraction (water and brine) and chromatography (silica gel, AcOEt) delivered 2-nitro-5-(3-oxo-morpholin-4-yl)-benzonitrile as a yellow solid (1.77 g). MS: 248.3 ([M+H]+).
 

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