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Chemical Structure| 1000575-20-1 Chemical Structure| 1000575-20-1

Structure of 1000575-20-1

Chemical Structure| 1000575-20-1

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Product Details of [ 1000575-20-1 ]

CAS No. :1000575-20-1
Formula : C7H4BrClF2O
M.W : 257.46
SMILES Code : FC(F)OC1=CC(Br)=CC=C1Cl
MDL No. :MFCD09878214
InChI Key :NGPWNGKVKQXTBJ-UHFFFAOYSA-N
Pubchem ID :26599243

Safety of [ 1000575-20-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 1000575-20-1 ]

* 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 [ 1000575-20-1 ]

[ 1000575-20-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 894807-98-8 ]
  • [ 1000575-20-1 ]
  • 4-(4-chloro-3-difluoromethoxy-phenyl)-1-SEM-1H-pyrazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
56% With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In ethanol; water; toluene; at 90℃; for 6h;Inert atmosphere; [116] The mixture of 4-bromo-1-chloro-2-difluoromethoxy-benzene (7.5 g, 29 mmol), SEM- pyrazolo-4-boronic acid pinacol ester (17.2 g, 53 mmol), Na2CO3 (6.4 g, 60 mmol), toluene (300 mL), ethanol (50 mL) and water (25 mL) was vacuumed and refilled with nitrogen, followed by the addition of Pd(PPh3)4 (1.155 g, 1 mmol). [117] After stirring at 90 °C for 6 hours the mixture was cooled to room temperature and water (200 mL) was added. The organic phase was separated, dried over sodium sulphate, filtered, and concentrated in vacuum to give a crude product. Purification using column chromatography (5- 10percent methanol in dichloromethane as eluent) and recrystallization from ethanol provided the product. Yield: 6.08 g (56 percent).
  • 2
  • [ 383-62-0 ]
  • [ 183802-98-4 ]
  • [ 1000575-20-1 ]
YieldReaction ConditionsOperation in experiment
67% With potassium carbonate; In N,N-dimethyl-formamide; at 80℃; To a mixture of 5-bromo-2-chlorophenol (7g, 34 mmol) and K2CO3 (16g, 118 mmol) in DMF (200 mL) was added <strong>[383-62-0]ethyl chlorodifluoroacetate</strong> (15 mL, 118 mmol). The reaction mixture was heated to 80 C overnight. The residue was diluted with ice-water and was extracted with EtOAc. The combined organic layers were dried (MgSO4), filtered and concentrated under vacuo. Purification (FCC, SiO2, 0-100 % EtOAc in heptane) afforded the title compound (5.8g, 67%).1H NMR (300 MHz, CDCl3) delta 7.41 (s, 1H), 7.32 (s, 2H), 6.53 (t, J = 72.9 Hz, 1H).
 

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