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[ CAS No. 604000-97-7 ] {[proInfo.proName]}

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Chemical Structure| 604000-97-7
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Product Details of [ 604000-97-7 ]

CAS No. :604000-97-7 MDL No. :MFCD12026481
Formula : C8H5FO3 Boiling Point : -
Linear Structure Formula :- InChI Key :MBTIUAFUJPATDP-UHFFFAOYSA-N
M.W : 168.12 Pubchem ID :18441958
Synonyms :

Safety of [ 604000-97-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 604000-97-7 ]

* 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.

  • Upstream synthesis route of [ 604000-97-7 ]
  • Downstream synthetic route of [ 604000-97-7 ]

[ 604000-97-7 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 604000-97-7 ]
  • [ 74-88-4 ]
  • [ 85070-58-2 ]
YieldReaction ConditionsOperation in experiment
72%
Stage #1: With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃;
Stage #2: for 2 h;
Sodium hydride (69 mg, 1.7 mmol) was added portionwise to a solution of 2-fluoro-4- formylbenzoic acid (0.30 g, 1.4 mmol) in N,N-Dimethylformamide (5.0 mL) at 0 °C. The mixture was allowed to warm to room temperature and was stirred for 30 minutes. Methyl iodide (0.18 mL, 2.9 mmol) was introduced dropwise. After 2 hours, the mixture was quenched with 1 N HC1, and extracted with EtOAc. The extracts were washed with water (twice), brine (once), dried over sodium sulfate and concentrated. Flash columnchromatography, eluting with a gradient from 0- 15percent ethyl acetate in hexanes afforded product as a white solid (190 mg, 72percent).3/4 NMR (300 MHz, CDC13): δ 10.05 (d, 1H), 8.11 (dd, 1H), 7.73 (dd, 1H), 7.65 (dd, 1H), 3.98 (s, 3H); LCMS (M+H)+: 183.0.
Reference: [1] Patent: WO2011/28685, 2011, A1, . Location in patent: Page/Page column 75
[2] Patent: WO2004/89916, 2004, A1, . Location in patent: Page 22
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