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Structure of 203664-05-5

Chemical Structure| 203664-05-5

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Product Details of [ 203664-05-5 ]

CAS No. :203664-05-5
Formula : C9H15N3O2
M.W : 197.23
SMILES Code : O=C(OC(C)(C)C)NCC1=NC=CN1
MDL No. :MFCD18831364
InChI Key :CEUVRSCDAWCEGC-UHFFFAOYSA-N
Pubchem ID :18670478

Safety of [ 203664-05-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 203664-05-5 ]

* 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 [ 203664-05-5 ]

[ 203664-05-5 ] Synthesis Path-Downstream   1~2

  • 1
  • disodium hydrogenphosphate [ No CAS ]
  • [ 24424-99-5 ]
  • [ 22600-77-7 ]
  • [ 203664-05-5 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide; sodium hydrogencarbonate; Production Example 162 2-[N-(tert-Butoxycarbonyl)aminomethyl]imidazole To an aqueous solution (10 ml) of 0.34 g of <strong>[22600-77-7]2-aminomethylimidazole dihydrochloride</strong> were added 0.32 g of sodium hydroxide and 0.34 g of sodium hydrogencarbonate. Then a tetrahydrofuran solution (10 ml) of 1.05 g of di-tert-butyl dicarbonate was added thereto and the resulting mixture was stirred at room temperature for 16 hours. After adding an aqueous solution of disodium hydrogenphosphate, the resulting mixture was extracted with ethyl acetate. The organic layer was washed successively with water and a saturated aqueous solution of sodium chloride and dried over anhydrous magnesium sulfate. After concentrating under reduced pressure, the residue was purified by silica gel column chromatography (eluted with n-hexane/ethyl acetate) to thereby give 0.20 g of the title compound as a colorless powder. 1H-NMR(CDCl3) delta ppm: 1.43(s, 9H), 4.32(d, J=7 Hz, 2H), 5.43(br.s, 1H), 6.96(s, 2H)
  • 2
  • [ 24424-99-5 ]
  • [ 22600-77-7 ]
  • [ 203664-05-5 ]
YieldReaction ConditionsOperation in experiment
300 mg With dmap; triethylamine; In dichloromethane; at 20 - 50℃; for 52.8h; <strong>[22600-77-7]1H-imidazol-2-ylmethanamine dihydrochloride</strong> (300mg, 1.76mmol) was suspended in DCM(10mL), treated with N,N-dimethylpyridin-4-amine (76mg, 0.62mmol), triethylamine (1.35mL,9.7mmol) and finally with di-tert-butyl dicarbonate (1.156g, 5.29mmol). The reaction was stirredat room temperature for 20min, heated at 50C for 5hrs, cooled and stored at room temperaturefor 48hrs. The reaction was diluted with DCM and washed with brine. The organic layer wasevaporated, the residue dissolved in DCM/MeCN/TF A and stirred at room temperature for onenight. The reaction was basified with NaHC03 (sat. solution) then the organic layer was separatedgiving after evaporation tert-butyl [(1H-imidazol-2-yl)methyl]carbamate (300mg, 1.76mmol) asyellowish oil.
 

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