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Chemical Structure| 100852-80-0 Chemical Structure| 100852-80-0

Structure of 100852-80-0

Chemical Structure| 100852-80-0

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Product Details of [ 100852-80-0 ]

CAS No. :100852-80-0
Formula : C10H14N2O4
M.W : 226.23
SMILES Code : O=C(C1=NN(C)C(C(OCC)=O)=C1)OCC
MDL No. :MFCD02253786

Safety of [ 100852-80-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 100852-80-0 ]

* 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 [ 100852-80-0 ]

[ 100852-80-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 100852-80-0 ]
  • [ 112029-98-8 ]
YieldReaction ConditionsOperation in experiment
Example 1.4Methyldiazolyl Methanol; Diethyl pyrazoledicarboxylate (2.0 g, 9.42 mmol) in THF at 0° C. was added NaH (60percent in mineral oil, 0.42 g, 10.37 mmol) portionwise. he resulting mixture was warmed to r.t. and stirred overnight. The reaction was quenched with saturated aqueous NH4Cl carefully. The mixture was diluted with EtOAc, separated, and extracted with EtOAc twice. The combined organic layers was dried over Na2SO4, concentrated, and purified by flash chromatography to afford the product as a colorless oil.The above diester (1.0 g, 4.42 mmol) was dissolved in MeOH, a solution of KOH in MeOH (0.28 g of KOH in 2.5 mL of MeOH) was added, and the mixture was stirred at r.t. for 24 h. After removal of solvent under reduced pressure at low temperature, the residue was dissolved in water and neutralized with aqueous HCl (1M solution). Extraction of the mixture with CHCl3 three times afforded the crude product after concentration of the combined organic layers. Without further purification the crude above product was heated to 210° C. for 30 min. to provide a dark brown oil, which was purified by flash chromatography to give the ester.The ester was reduced to corresponding alcohol by LAH. 1H-NMR: (300 MHz, CDCl3), delta: 7.32 (s, 1H); 6.25 (s, 1H); 4.68 (s, 2H); 3.88 (s, 3H); 2.74 (br, 1H).
 

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