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Chemical Structure| 1397237-98-7 Chemical Structure| 1397237-98-7

Structure of 1397237-98-7

Chemical Structure| 1397237-98-7

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Product Details of [ 1397237-98-7 ]

CAS No. :1397237-98-7
Formula : C7H7BrFNO
M.W : 220.04
SMILES Code : NC1=CC(Br)=C(F)C=C1OC
MDL No. :MFCD11847610
InChI Key :YAGABDLQAULCFZ-UHFFFAOYSA-N
Pubchem ID :53418433

Safety of [ 1397237-98-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H320-H335
Precautionary Statements:P264-P270-P301+P312-P330

Application In Synthesis of [ 1397237-98-7 ]

* 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 [ 1397237-98-7 ]

[ 1397237-98-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1352244-77-9 ]
  • [ 1397237-98-7 ]
YieldReaction ConditionsOperation in experiment
With ammonium chloride; zinc; In ethanol; at 25℃; for 1.0h; [00200] Intermediate 20A. 5-Bromo-4-fluoro-2-methoxyaniline: To a solution of 1- bromo-2-fluoro-4-methoxy-5-nitrobenzene (24.5 g, 98.0 mmol) in ethanol (100 mL) was added zinc (8.97 mL, 980 mmol) and ammonium chloride (34.5 mL, 980 mmol) in a portion and the resulting solution was stirred for 1 h at 25 C. The reaction mixture was filtered and organic solution was concentrated in vacuo, yielding a dark oily residue. It was partitioned in EtOAc (50 mL) and brine (20 mL). Organic solution was dried over a2S04 and concentrated in vacuo to provide Intermediate 20A as a dark brown oil, which was subjected to the following reaction without further purification. LCMS (ESI) m/z 220, 222 (M+H, M+2+H)+, RT = 1.12 min (Method D).
With iron; ammonium chloride; In ethanol; water; at 80℃; for 6.0h; WX031-3 (8.30 g, 33.20 mmol, 1.00 eq), iron powder (9.27 g, 166.00 mmol, 5.00 eq), ammonium chloride (1.95 g, 36.52 mmol, 1.28 mL, 1.10 eq), ethanol (192.00 mL) and water (64.00 mL) were added into a 100 mL pre-dried eggplant-shaped bottle. The reaction solution was refluxed at 80 C. for 6 hours. After the reaction was completed, the reaction solution was filtered through celite, then dried on a rotary evaporator, dissolved in dichloromethane (30 mL) and water (20 mL), and extracted with dichloromethane (2×20 mL). The organic phases were combined, washed with saturated brine (2×30 mL), dried, filtered and concentrated to obtain a crude product, which was purified by chromatography column (ethyl acetate:petroleum ether=1:20-1:4) to obtain WX031-4. 1H NMR (400 MHz, CHLOROFORM-d) delta ppm 3.57-3.73 (m, 2H) 3.81 (s, 4H) 6.59 (d, J=9.92 Hz, 1H) 6.79 (d, J=6.84 Hz, 1H).
 

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