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Chemical Structure| 1261883-35-5 Chemical Structure| 1261883-35-5

Structure of 1261883-35-5

Chemical Structure| 1261883-35-5

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Product Details of [ 1261883-35-5 ]

CAS No. :1261883-35-5
Formula : C7H5FN2
M.W : 136.13
SMILES Code : N#CC1=NC=C(F)C=C1C
MDL No. :MFCD18411460

Safety of [ 1261883-35-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H311-H331
Precautionary Statements:P261-P280-P301+P310-P311
Class:6.1
UN#:2810
Packing Group:

Application In Synthesis of [ 1261883-35-5 ]

* 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 [ 1261883-35-5 ]

[ 1261883-35-5 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 557-21-1 ]
  • [ 38186-84-4 ]
  • [ 1261883-35-5 ]
YieldReaction ConditionsOperation in experiment
tetrakis(triphenylphosphine) palladium(0); In N,N-dimethyl-formamide; at 120℃; for 0.5h;microwave irradiation; Acid-22: 5-Fluoro-3-methyl-pyridine-2-carboxylic acid; a) 5-Fluoro-3-methyl-pyridine-2-carbonitrile; A soln. of <strong>[38186-84-4]2-chloro-5-fluoro-3-methyl-pyridine</strong> (CAS 38186-84-4, 408 mg, 2.750 mmol), Zn(CN)2 (230 mg, 1.923 mmol) and Pd(PPh3)4 (190 mg, 0.165 mmol) in DMF (8 ml) was stirred at 120 C for 0.5 h in a microwave. The reaction mixture was filtered over hyflo, diluted with TBME and H20 and extracted with brine. The aq. phases were reextracted with TBME, the combined org. phases were dried over Na2S04, filtered and concentrated. Flash chromatography on silica gel (hexane-EtOAc 100:0 to 80:20) yielded the title compound. HPLC: 0.72 min; 1 H NMR (400 MHz, CDCI3): delta 8.42 (d, 1 H), 7.42-7.39 (m, 1 H), 2.61 (s, 3H).
  • 2
  • [ 1261883-35-5 ]
  • [ 1256808-59-9 ]
YieldReaction ConditionsOperation in experiment
b) 5-Fluoro-3-methyl-pyridine-2-carboxylic acid; 5-Fluoro-3-methyl-pyridine-2-carbonitrile (254 mg, 1.866 mmol) in cone. aq. HCI (1.5 ml) was stirred in a sealed glass vial at 120C for 2 h. The reaction mixture was basified with solid NaOH and extracted twice with TBME. The combined org. phases were washed with H20. The combined aq. phases were acidified to pH 2 with 2M aq. HCI, and were three times extracted with TMBE, dried over Na2S04, filtered and concentrated. The crude product was used in the next step without further purification.HPLC: RtH12= 0.48 min; ESIMS [M+H]+ = 156; 1H NMR (400 MHz, CD3OD): delta 8.37 (d, 1 H), 7.63 (dd, 1 H), 2.64 (s, 3H).
 

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