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Chemical Structure| 321126-82-3 Chemical Structure| 321126-82-3

Structure of 321126-82-3

Chemical Structure| 321126-82-3

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Product Details of [ 321126-82-3 ]

CAS No. :321126-82-3
Formula : C8H8N2O2
M.W : 164.16
SMILES Code : O=C1COC2=C(N)C=CC=C2N1
MDL No. :MFCD09998373

Safety of [ 321126-82-3 ]

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

Application In Synthesis of [ 321126-82-3 ]

* 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 [ 321126-82-3 ]

[ 321126-82-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 321126-82-3 ]
  • [ 164341-39-3 ]
  • [ 32315-10-9 ]
  • [ 1338065-23-8 ]
YieldReaction ConditionsOperation in experiment
37% To a solution of triphosgene (0.07 g, 0.37 mol eq) in anh. CH2C12 (10 mL) was slowly added the amine If (0.2g, 1 mmol) solubilized in CH2C12 (10 mL) and DIEA (2.2 mol eq, 0.4 mL). After the addition was completed, the reaction mixture was stirred at room temp, for 15 min. Then the [5-(trifluoromethyl)-2- pyridyljmethanamine (1 mol eq, 0.18g) solubilized in CH2C12 (10 mL) and DIEA (2.2 mol eq, 0.4 mL) was added in one portion. The mixture obtained was stirred at room temp, for 12 h. The solvent was removed at reduced pressure, water was added and the mixture was extracted with EtOAc (3x20 mL). The recombined organic phases were anhydrified over sodium sulfate and evaporated to dryness. The residue was purified by crystallization from EtOAc to obtain the product as yellow solid (0.132g, 37% Yield). 1HNMR (DMSO, 400 MHz) delta 4.47 (d, 2H, J=6), 4.63 (s, 2H), 6.46 (dd, 1H, J=2), 6.80 (t, 1H, J=8), 7.57m, 2H), 7.72 (dd, 1H, J=2), 8.18 (dd, 1H, J=2), 8.22 (s, 1H), 8.90 (m, 1H), 10.66 (s, 1H). [M+1] 366.94 (C16H13F3N4O3 requires 366.29).
 

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