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Chemical Structure| 1978-59-2 Chemical Structure| 1978-59-2

Structure of 1978-59-2

Chemical Structure| 1978-59-2

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Product Details of [ 1978-59-2 ]

CAS No. :1978-59-2
Formula : C11H12FN
M.W : 177.22
SMILES Code : FC1=CC=C(C2=CCNCC2)C=C1
MDL No. :MFCD06661918

Safety of [ 1978-59-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 1978-59-2 ]

* 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 [ 1978-59-2 ]

[ 1978-59-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1978-59-2 ]
  • [ 2923-66-2 ]
  • 1-(3-chloro-4-fluorophenyl)-3-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]propan-1-ol [ No CAS ]
  • 2
  • [ 50-00-0 ]
  • [ 1978-59-2 ]
  • [ 2923-66-2 ]
  • C20H18ClF2NO [ No CAS ]
YieldReaction ConditionsOperation in experiment
In 1,4-dioxane; at 100 - 110℃; under 1034.32 Torr; for 0.0833333h;pH 1 - 2;Microwave irradiation; Sealed tube; General procedure: Ketones derivatives were prepared by Lehmann's method [41], which was adapted and optimized. In a 35mL microwave vial, a solution of the corresponding substituted aryl methyl ketone (V) (1.0 equiv), the corresponding aryl amine as a base or hydrochloride salt (IIIa-d, IVa-g) (1.0 equiv), and paraformaldehyde (1.2 equiv) in 1,4-dioxane (4mL) was stirred for 5minat 20-22C. If necessary, concentrated HCl was added dropwise to the mixture until a pH of 1-2 was reached. The resulting mixture was heated using microwave irradiation at 100-110C, 20 psi, and 150W for 5min. Then, the mixture was poured into a flask and the 1,4-dioxane was removed in vacuo. The residue was diluted with H2O (30mL) and basified with 2M NaOH to basic pH and stirred for 1h. The mixture was transferred into a separatory funnel and extracted with DCM (3×50mL). The organic phase was dried with anhydrous Na2SO4, filtered, and evaporated to dryness under reduced pressure. In some cases, the residue obtained was purified by gradient elution glass-column chromatography on silica gel using DCM/MeOH (v/v) as an eluent or gradient elution automated flash chromatography eluting with DCM/MeOH (v/v), affording the desired aryl-ketone (1-36). Based on our previous SAR studies [13,14], the aryl-ketone derivatives were inactive against the NF54, 3D7, and FCR-3 strains of P.falciparum, and therefore they were not an objective or priority in the project.
 

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