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Chemical Structure| 25786-08-7 Chemical Structure| 25786-08-7

Structure of 25786-08-7

Chemical Structure| 25786-08-7

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Product Details of [ 25786-08-7 ]

CAS No. :25786-08-7
Formula : C10H13N3O3
M.W : 223.23
SMILES Code : O=C(NC1=CC=C([N+]([O-])=O)C=C1)CN(C)C
MDL No. :MFCD00454169
InChI Key :RAUBZYQVBHPQPD-UHFFFAOYSA-N
Pubchem ID :2933198

Safety of [ 25786-08-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362

Application In Synthesis of [ 25786-08-7 ]

* 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 [ 25786-08-7 ]

[ 25786-08-7 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 124-40-3 ]
  • [ 17329-87-2 ]
  • [ 25786-08-7 ]
YieldReaction ConditionsOperation in experiment
91% In tetrahydrofuran; at 50℃; General procedure: To a stirred solution of 12b (4.6 g, 20 mmol) in THF (50 mL) was added N,N-dimethylamine (2M solution in THF, 1.8 g, 20 mL, 40 mmol) dropwise at rt. The resulting mixture was stirred at 50 C overnight and was then evaporated to dryness under reduced pressure. The residue was triturated with a saturated aqueous solution of NaHCO3, and the solid product was collected by filtration, washed with water followed by hexane, and dried to give 14a. Yield: 4.1 g (87%)
  • 2
  • [ 506-59-2 ]
  • [ 17329-87-2 ]
  • [ 25786-08-7 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In N,N-dimethyl-formamide; at 60℃; for 2h; b. A solution of the product from step a (90 g, 0.4196 mol) in DMF (900 mL) was treated with powdered K2CO3 (115.8 g, 0.840 mol), followed by dimethylamine hydrochloride (51.3 g, 0.62937 mol). The reaction mixture was heated to 60 0C and stirred at that temperature for 2 hours. Water was added to the reaction mixture, and the product was extracted with EtOAc (3 x 350 mL). The organic layers were combined and EPO <DP n="56"/>OOwashed with water (2 x 250 mL) and brine, dried (Na2SO4), filtered and concentrated to a light brown solid (72 g).
  • 3
  • [ 25786-08-7 ]
  • [ 506-59-2 ]
  • [ 17329-87-2 ]
YieldReaction ConditionsOperation in experiment
64% With potassium carbonate; sodium iodide; In acetonitrile; at 80℃; for 3h; Add 4-36a (214mg, 1mmol),Dimethylamine hydrochloride (163mg, 2mmol), anhydrous potassium carbonate (414mg, 3mmol),Sodium iodide (165mg, 1.1mmol) and acetonitrile (15mL) were added to the reaction flask and stirred at 80C for 3h,TLC (CH2Cl2:MeOH=10:1) detected the completion of the reaction. The reaction liquid is filtered after cooling,The filtrate was concentrated, and the residue was added with 15 mL each of water and ethyl acetate, mixed well and allowed to stand for separation.The aqueous phase was discarded, the organic phase was extracted with 2N hydrochloric acid (3mL×3), and the extracts were combined and adjusted to pH=9 with saturated aqueous sodium bicarbonate solution.A yellow solid was precipitated, filtered and dried to obtain 4-35a, 150 mg, with a yield of 64%.
 

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