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Chemical Structure| 235106-12-4 Chemical Structure| 235106-12-4

Structure of 235106-12-4

Chemical Structure| 235106-12-4

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Product Details of [ 235106-12-4 ]

CAS No. :235106-12-4
Formula : C5H4ClF3N2
M.W : 184.55
SMILES Code : FC(C1=NNC(C)=C1Cl)(F)F
MDL No. :MFCD00155724

Safety of [ 235106-12-4 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H312-H315-H319-H335
Precautionary Statements:P262-P280-P301+P310-P304+P340-P305+P351+P338-P310
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 235106-12-4 ]

* 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 [ 235106-12-4 ]

[ 235106-12-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 235106-12-4 ]
  • [ 301221-79-4 ]
  • [ 1018325-99-9 ]
YieldReaction ConditionsOperation in experiment
82% [00193] Step 4: A mixture of 4-chloro-5-methyl-3-(trifluoromethyl)-lH-pyrazole (0.784 g, 4.25 mmol), anhydrous potassium carbonate (1.354 g, 9.80 mmol) and anhydrous acetonitrile (50 mL) was stirred at RT for 15 min and then treated with a solution of tert-bvXyl 4-(2-bromoacetyl)piperidine-l-carboxylate (1.0 g, 3.27 mmol) in anhydrous acetonitrile (5 mL). The resulting mixture was stirred at RT overnight to give a bright yellow mixture, which was concentrated on a rotary evaporator. The resultant residue was partitioned between EtOAc (50 mL) and water (25 mL). The organic phase was washed with 1 M NaOH (3 x 20 mL), washed with brine, dried (MgSO4) and concentrated on a rotary evaporator to give a yellow foam (1.5 g). The yellow foam was purified by flash chromatography using a 40 g silica gel cartridge and gradient elution from 10: 1 Hex/EtOAc to 3: 1 Hex/EtOAc (product Rf = 0.25 with 3: 1 Hexane / EtOAc; TLC visualized with KMnO4). The fractions containing the product were pooled and concentrated on a rotary evaporator to give tert-bvAyl 4-(2- (4-chloro-5-methyl-3-(trifluoromethyl)-lH-pyrazol-l-yl)acetyl)piperidine-l- carboxylate (1.1 g, 2.68 mmol, 82percent yield). 1H-NMR (400 MHz, CDCl3) delta ppm 4.99 (2 H, s), 4.09 - 4.20 (2 H, m), 2.79 (2 H, t, J=12.41 Hz), 2.56 - 2.64 (1 H, m), 2.15 (3 H, s), 1.85 (2 H, d, J=I 1.86 Hz), 1.55 - 1.65 (2 H, m), 1.41 - 1.47 (9 H, m).
 

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