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Chemical Structure| 50917-72-1 Chemical Structure| 50917-72-1

Structure of 50917-72-1

Chemical Structure| 50917-72-1

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Product Details of [ 50917-72-1 ]

CAS No. :50917-72-1
Formula : C5H14NO3P
M.W : 167.14
SMILES Code : NCP(OCC)(OCC)=O
MDL No. :MFCD01072445

Safety of [ 50917-72-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H312-H332-H314
Precautionary Statements:P260-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
Class:8
UN#:2735
Packing Group:

Application In Synthesis of [ 50917-72-1 ]

* 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 [ 50917-72-1 ]

[ 50917-72-1 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 50917-72-1 ]
  • [ 2106-49-2 ]
  • [ 345203-23-8 ]
  • 2
  • [ 50917-72-1 ]
  • [ 1709-71-3 ]
  • [ 1345977-44-7 ]
  • 3
  • [ 50917-72-1 ]
  • [ 56844-12-3 ]
  • [ 1610771-86-2 ]
YieldReaction ConditionsOperation in experiment
50% With triethylamine; In 1,4-dioxane; at 100℃; for 18h;Sealed tube; Synthesis of diethyl (((6-bromothieno [2.3 -dlpyrimidin-4-yl)amino)methyl)phosphonate (15 SchemeThe diethyl (aminomethyl)phosphonate reagent was prepared as previously reported (Klmn, F.K. et al. Inorg. Chem. 2007, 46, 5260-5270). To a pressure vessel, 6-bromo-4-chlorothieno[2,3-djpyrimidine (16, 1.16 g, 4.65 mmol, leq.) and diethyl (aminomethyl)phosphonate (1.17g, 6.97 mmol, 1.5 eq.) was dissolved in dioxane. Triethylamine (3.24 mL, 23.3 mmol, 5 eq.) was added drop-wise to the reaction and the pressure vessel was sealed and stirred at 100C for 18 hours. The reaction mixture was cooled to room temperature and diluted with ethyl acetate (50 mL). The organic layer was washed with an aqueous, saturated solution of sodium bicarbonate (15 mL), water (45 mL), brine (15 mL) and dried over anhydrous MgSO4. The product was purified by column chromatography, (using a solvent gradient from 0%-i 00% ethyl acetate in hexanes and then from 0%-20% methanol in ethyl acetate) to give the desired product 15 as a yellow solid (884 mg, 50% yield).?H NMR (400 MHz, CD3OD): 8.36 (s, 1H), 7.56 (s, 1H), 4.20-4.12 (m, 6H), 1.28 (t, J 7.1 Hz, 6H) ?3C NMR (75 MHz, CD3OD): 154.8, 122.8, 118.8, 112.7, 64.1 (d, J 6.7 Hz), 36.7 (d, J 158 Hz), 16.7 (d, J 5.9 Hz) 31P NMR (81MHz, CD3OD): 23.91 MS (ESI+) calculated for C,,H,5BrN3O3PS m/z [M + Hib: 380.2, found m/z 380.10
 

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