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Chemical Structure| 14628-34-3 Chemical Structure| 14628-34-3

Structure of 14628-34-3

Chemical Structure| 14628-34-3

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Product Details of [ 14628-34-3 ]

CAS No. :14628-34-3
Formula : C5H5ClN2O
M.W : 144.56
SMILES Code : O=C1C=C(Cl)C=NN1C
MDL No. :MFCD26401610
InChI Key :RNUMDSZAIHARFX-UHFFFAOYSA-N
Pubchem ID :12910144

Safety of [ 14628-34-3 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H311-H331
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 14628-34-3 ]

* 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 [ 14628-34-3 ]

[ 14628-34-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 4522-35-4 ]
  • [ 14628-34-3 ]
  • [ 1621525-40-3 ]
YieldReaction ConditionsOperation in experiment
Step B: 5-(3-Iodo-lH-pyrazol-l-yl)-2-methylpyridazin-3(2 /)-one To a clean dry flask was added sodium hydride (200 mg, 5.00 mmol) and anhydrous NMP (10 mL). The mixture was cooled to 0 C. 3-Iodopyrazole (959 mg, 4.95 mmol) was added to the mixture in one portion. The mixture was stirred for 10 min at room temperature, then 5-chloro-2-methylpyridazin-3(2H)-one (650 mg, 4.50 mmol) was added in one portion. The mixture was stirred at 100 C for 2 h. The reaction mixture was cooled to room temperature, water (100 mL) was added, and the resulting mixture was extracted with EtOAc (100 mL). The organic layer was washed with water (3 x 50 mL) and the combined aqueous layers were extracted with EtOAc (2 x 100 mL). The combined organic layers were washed with brine (100 mL), dried over Na2S04, filtered and concentrated under reduced pressure. The residue was purified by flash chromatography (ISCO Combiflash, 40 g, 0-100% EtOAc in hexanes) to give 5-(3-iodo-lH-pyrazol-l-yl)-2-methylpyridazin-3(2H)-one, as a white solid. LCMS calc. = 302.97; found = 302.95 (Mu+Eta)+. NMR (500 MHz, CDC13): delta 8.47 (d, J = 2.6 Hz, 1 H); 7.79-7.74 (d, J = 2.6 Hz, 1 H); 6.93 (d, J = 2.6 Hz, 1 H); 6.74 (d, J = 2.6 Hz, 1 H); 3.84 (s, 3 H).
 

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