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Chemical Structure| 870704-13-5 Chemical Structure| 870704-13-5

Structure of 870704-13-5

Chemical Structure| 870704-13-5

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Product Details of [ 870704-13-5 ]

CAS No. :870704-13-5
Formula : C7H4ClFO2
M.W : 174.56
SMILES Code : OC1=C(Cl)C=C(C=O)C=C1F
MDL No. :MFCD06411310

Safety of [ 870704-13-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H318
Precautionary Statements:P280-P301+P310-P305+P351+P338
Class:8(6.1)
UN#:2923
Packing Group:

Application In Synthesis of [ 870704-13-5 ]

* 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 [ 870704-13-5 ]

[ 870704-13-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 2040-90-6 ]
  • [ 100-97-0 ]
  • [ 870704-13-5 ]
YieldReaction ConditionsOperation in experiment
40% With trifluoroacetic acid; at 60℃; for 16h;Inert atmosphere; <strong>[2040-90-6]2-fluoro-6-chlorophenol</strong> (0.5 mg, 3.5mmol) and hexamethylenetetramine (0.5 g, 3.5 mmol) were dissolved in TFA (3 mL) and stirred at 60 C for 16 h. The mixture was poured into ice -water (20 mL) and extracted with Et20 (3 x 20 mL). The organic fractions were combined, washed with brine (25 mL), dried over MgSCf, filtered, and the solvent was evaporated. The product, purified by column chromatography (hexane :EtO Ac; 7:3), was obtained as a white solid (250 mg, 40 %). (0157) NMR (500 MHz, CDCfs) (ppm) 9.83 (d, / = 2.1 Hz, 1H), 7.74 - 7.71 (m, 1H), 7.59 (dd, / = 9.6, 1.8 Hz, 1H), 6.12 (s, 1H); (0158) 13C NMR (126 MHz,CDCf) (ppm) 188.8, 151.6 (d, / = 248.2 Hz), 146.2 (d, / = 15.3 Hz), 129.7 (d, / = 5.4 Hz), 127.5 (d, / = 3.1 Hz), 122.7, 115.4 (d, / = 18.5 Hz); 19F NMR (471 MHz, CDCl3) (0159) HRMS calcd for C7H3CIFO2 [ M-I I f 172.9811, found 172.9809.
 

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