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Structure of 1201187-18-9

Chemical Structure| 1201187-18-9

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Product Details of [ 1201187-18-9 ]

CAS No. :1201187-18-9
Formula : C7H2ClF3N2
M.W : 206.55
SMILES Code : N#CC1=CN=C(Cl)C=C1C(F)(F)F
MDL No. :MFCD15528775
InChI Key :MXQLUANSPBCUGU-UHFFFAOYSA-N
Pubchem ID :58009884

Safety of [ 1201187-18-9 ]

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

Application In Synthesis of [ 1201187-18-9 ]

* 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 [ 1201187-18-9 ]

[ 1201187-18-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1201187-18-9 ]
  • [ 35344-95-7 ]
  • 6-(4-formyl-1H-pyrazol-1-yl)-4-(trifluoromethyl)nicotinonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
48.10% With copper(l) iodide; potassium carbonate; trans-N,N'-dimethylcyclohexane-1,2-diamine; In 1,4-dioxane; at 110℃; for 1h;Inert atmosphere; Microwave irradiation; General procedure: To a stirred solution of 1Hpyrazole4carbaldehyde (1.00 g, 10.40 mmol) and 6bromo4methylnicotinonitrile (2.05 g, 10.40 mmol) in dioxane (15 mL) were added K2CO3 (4.31 g, 31.20 mmol). The resulting reaction mixture was degassed with nitrogen for 5 minutes then copper (I) iodide (0.59 g, 3.12 mmol) was added, followed by transN,N'dimethylcyclohexane1,2diamine (2.59 mL, 16.4 mmol). The resulting mixture was degassed again for 10 minutes and heated at 110 °C for 1 h under microwave irradiation. The reaction mixture was cooled to ambient temperature, filtered through Celite® and the organic layer was concentrated under reduced pressure. The residue was purified by column chromatography (Redisep24 g, 2040percent EtOAc/ nhexane) to obtain Intermediate 6 (1.15 g, 52.10percent) as pale yellow solid. 1H NMR (300 MHz, DMSOd6) G^ppm 2.62 (s, 3 H), 8.10 (s, 1 H), 8.38 (s, 1 H), 8.95 (s, 1 H), 9.37 (s, 1 H), 9.98 (s, 1 H). LCMS (methodD), retention time 1.68 min, [M+H] 213.2.
 

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