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Chemical Structure| 1221171-95-4 Chemical Structure| 1221171-95-4

Structure of 1221171-95-4

Chemical Structure| 1221171-95-4

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Product Details of [ 1221171-95-4 ]

CAS No. :1221171-95-4
Formula : C6H2ClF3INO
M.W : 323.44
SMILES Code : FC(F)(F)OC1=NC(Cl)=CC=C1I
MDL No. :MFCD22571777
InChI Key :AFPPAOOKEWWCBK-UHFFFAOYSA-N
Pubchem ID :49871100

Safety of [ 1221171-95-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Application In Synthesis of [ 1221171-95-4 ]

* 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 [ 1221171-95-4 ]

[ 1221171-95-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1221171-95-4 ]
  • [ 1221171-96-5 ]
YieldReaction ConditionsOperation in experiment
80% 2-ChIoro-4-iodo-6-trifluoromethoxy pyridine (42); At 0 0C, diisopropylamine (1.4 g, 1.9 mL, 13.6 mmol, 1.1 eq) was added dropwise to a solution of butyllithium (1.56 M in hexane, 9.0 mL, 13.6 mmol, 1.1 eq) in THF (20 mL). At -78 0C, a solution of 2-chloro-5-iodo-6-trifluoromethoxypyridine (41, 4.0 g, 12.4 mmol, 1 eq) in THF (10 mL) was added dropwise and the reaction mixture was stirred for 1 h at this temperature. It was then neutralized with a solution of hydrochloric acid (2N, 10 mL), treated with a saturated aqueous solution sodium hydrogencarbonate (30 mL) and extracted with diethylether (3 x 20 mL). The combined organic layers were dried over sodium sulfate before being evaporated. The crude dark oil was distilled under vacuum (b.p. 104-107 0C / 16 mbar) to afford pure 2-chloro-4-iodo-6- trifluoromethoxypyridine (42, 3.2 g, 10.9 mmol, 80%) as a colorless oil; 1H NMR(CDCl3, 300 MHz): delta = 7.66 (d, J= 1.0 Hz, 1 H), 7.34 (d, J= 1.0 Hz, 1 H). - 19F NMR (CDCl3, 282 MHz): delta = -57.1 - 13C NMR (CDCl3, 75 MHz): delta = 155.1, 149.4, 130.7, 120.3, 119.1 (q, J= 262 Hz), 108.3.
 

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