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[ CAS No. 125418-96-4 ] {[proInfo.proName]}

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Chemical Structure| 125418-96-4
Chemical Structure| 125418-96-4
Structure of 125418-96-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 125418-96-4 ]

CAS No. :125418-96-4 MDL No. :MFCD07431460
Formula : C9H6ClNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 195.60 Pubchem ID :-
Synonyms :

Safety of [ 125418-96-4 ]

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Application In Synthesis of [ 125418-96-4 ]

* 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 [ 125418-96-4 ]

[ 125418-96-4 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 1162670-12-3 ]
  • [ 125418-96-4 ]
YieldReaction ConditionsOperation in experiment
With trifluoroacetic acid In ethyl acetate at 20℃; 54c EXAMPLE 54c; Preparation of intermediate (4-chloro-2-formyl-phenoxy)-acetonitrile; At room temperature, a mixture of (4-chloro-2-[1,3]dioxolan-2-yl-phenoxy)-acetonitrile (28.68 g, 0.12 mol) and trifluoroacetic acid (41.04 g, 0.36 mol) in EtOAc (500 mL) was stirred overnight. Then the solution was washed with water, saturated NaHCO3 solution twice, dried over anhydrous Na2SO4, and concentrated to give crude product (22 g). The crude product was directly used for next step without further purification.
  • 2
  • [ 56341-37-8 ]
  • [ 125418-96-4 ]
  • [ 1162670-13-4 ]
YieldReaction ConditionsOperation in experiment
With pyrrolidine In methanol at 70℃; for 2h; 54d EXAMPLE 54d; Preparation of intermediate E/Z-[4-chloro-2-(6-chloro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-phenoxy]-acetonitrile; To the mixture of 6-chlorooxindole (18.4 g, 0.110 mol) and (4-chloro-2-formyl-phenoxy)-acetonitrile (21.5 g, 0.110 mol) in methanol (200 mL) was added pyrrolidine (8.60 g, 0.121 mol) dropwise. Then the mixture was heated at 70° C. for 2 h. After cooled to room temperature, the mixture was filtered. The precipitate was collected and dried to give the title compound as a yellow solid (8.5 g).
  • 3
  • [ 125418-96-4 ]
  • [ 57240-55-8 ]
YieldReaction ConditionsOperation in experiment
95% With 2-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate; 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 20℃; Inert atmosphere;
91% With 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride; triethylamine at 80℃; for 1h; Microwave irradiation; Inert atmosphere; Sealed tube; Ionic liquid; Green chemistry;
  • 4
  • [ 635-93-8 ]
  • [ 590-17-0 ]
  • [ 125418-96-4 ]
YieldReaction ConditionsOperation in experiment
88% Stage #1: 5-chlorosalicyclaldehyde With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.25h; Inert atmosphere; Stage #2: cyanomethyl bromide In N,N-dimethyl-formamide Inert atmosphere;
Stage #1: 5-chlorosalicyclaldehyde With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.25h; Inert atmosphere; Stage #2: cyanomethyl bromide In N,N-dimethyl-formamide at 20℃;
  • 5
  • [ 125418-96-4 ]
  • N-(6-chloro-4-oxo-4H-chromen-3-yl)-2-morpholinoacetamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride; triethylamine / 1 h / 80 °C / Microwave irradiation; Inert atmosphere; Sealed tube; Ionic liquid; Green chemistry 2.1: triethylamine / 0 °C / Inert atmosphere; Ionic liquid 2.2: 0.5 h / 0 - 20 °C / Inert atmosphere; Ionic liquid 3.1: 12 h / 20 °C / Inert atmosphere; Ionic liquid
  • 6
  • [ 125418-96-4 ]
  • C11H7BrClNO3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride; triethylamine / 1 h / 80 °C / Microwave irradiation; Inert atmosphere; Sealed tube; Ionic liquid; Green chemistry 2.1: triethylamine / 0 °C / Inert atmosphere; Ionic liquid 2.2: 0.5 h / 0 - 20 °C / Inert atmosphere; Ionic liquid
  • 7
  • [ 125418-96-4 ]
  • [ 5720-05-8 ]
  • (5-chloro-1-benzofuran-2-yl)(4-methylphenyl)methanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
90% With 6,6'-dimethyl-2,2'-bipyridine; palladium(II) trifluoroacetate; trifluoroacetic acid In 2-methyltetrahydrofuran at 80℃; for 24h; Schlenk technique; chemoselective reaction;
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