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Structure of 41870-24-0

Chemical Structure| 41870-24-0

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Product Details of [ 41870-24-0 ]

CAS No. :41870-24-0
Formula : C8H9NO4
M.W : 183.16
SMILES Code : COC1=C(C=C(CO)C=C1)[N+]([O-])=O
MDL No. :MFCD02683526
InChI Key :XJVDLGZUYYAXLS-UHFFFAOYSA-N
Pubchem ID :4432413

Safety of [ 41870-24-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 41870-24-0 ]

* 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 [ 41870-24-0 ]

[ 41870-24-0 ] Synthesis Path-Downstream   1~2

  • 2
  • [ 41870-24-0 ]
  • [ 62-53-3 ]
  • [ 120-35-4 ]
YieldReaction ConditionsOperation in experiment
93.8% S1: at room temperature, to a suitable amount of the organic solvent benzonitrile was added 100 mmol of the compound of the formula (I) 4-methoxy-3-aminobenzyl alcohol, 150 mmol of the compound of formula (II), 10 mmol of a composite catalyst (a mixture of 5 mmol of 1-diphenylphosphino-1 '- (di-tert-butylphosphino) ferrocene with 5 mmol of bis (cyclopentadienyl)zirconium dichloride) 120 mmol of oxidizing agent cerium ammonium nitrate and 8 mmol of organic ligand L1, and then raised to 80 C, and the reaction was stirred at this temperature for 10 hours. S2: After the completion of the reaction at step S1, 300 mmol of the reducing agent Na2S (in the form of an aqueous solution having a mass percentage of 30% by weight) was directly added and the reaction was continued at 80 C for 14 hours, followed by post-treatment, the compound of the formula (III) (i.e., red base KD) in a white powder was obtained in a yield of 93.8%. Melting point: 154-155 C;1H NMR (DMSO-d6, 300MHz) : delta 3.53 (s, 3H), 4.51 (br, 2H), 7.02 (m, 1H), 7.16 (d, 1H), 7.23 (d,2H), 7.48 (dd,2H), 7.65 (d,1H), 7.73 (s,1H), 10.04 (s,1H).
 

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