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Chemical Structure| 3775-61-9 Chemical Structure| 3775-61-9

Structure of 3775-61-9

Chemical Structure| 3775-61-9

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Product Details of [ 3775-61-9 ]

CAS No. :3775-61-9
Formula : C4H7N3O
M.W : 113.12
SMILES Code : NC1=NN=C(CC)O1
MDL No. :MFCD02671890
InChI Key :XHSTYRIUVMKGDX-UHFFFAOYSA-N
Pubchem ID :343487

Safety of [ 3775-61-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P264-P270-P301+P312-P330-P501

Application In Synthesis of [ 3775-61-9 ]

* 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 [ 3775-61-9 ]

[ 3775-61-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 53250-83-2 ]
  • [ 68957-94-8 ]
  • [ 3775-61-9 ]
  • [ 1398546-24-1 ]
YieldReaction ConditionsOperation in experiment
6% With dmap; triethylamine; In tetrahydrofuran; dichloromethane; 3. Preparation of 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(methylsulfonyl)benzamide (Ex. No. 3-9) 415 mg (1.77 mmol) of 2-chloro-4-(methylsulfonyl)benzenecarboxylic acid and 200 mg (1.77 mmol) of 5-ethyl-1,3,4-oxadiazol-2-amine are dissolved at RT in 9 ml of CH2Cl2. Then 1.68 g (2.64 mmol) of 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane 2,4,6-trioxide (50% solution in THF) are added, the mixture is stirred at RT for one hour and then 0.246 ml (1.77 mmol) of triethylamine, 43 mg (0.35 mmol) of 4-dimethylaminopyridine are added. The reaction mixture is stirred at RT for 48 h and then washed twice with 4 ml each time of water, and purified by column chromatography (prep. HPLC; acetonitrile/water). Yield 41 mg (6%). 1H NMR (400 MHz; DMSO-d6): 12.55 ppm (s broad 1H); 8.12 (s, 1H), 8.01 (d, 1H), 7.92 (d, 1H), 3.35 (s, 3H), 2.84 (q, 2H), 1.26 (t, 3H).
  • 2
  • [ 68957-94-8 ]
  • [ 3775-61-9 ]
  • [ 280566-45-2 ]
  • [ 1398546-23-0 ]
YieldReaction ConditionsOperation in experiment
28% With dmap; triethylamine; In tetrahydrofuran; dichloromethane; 2. Preparation of 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)nicotinamide (Ex. No. 7-3) 200 mg (0.887 mmol) of 2-chloro-6-(trifluoromethyl)nicotinic acid and 100 mg (0.887 mmol) of 5-ethyl-1,3,4-oxadiazol-2-amine are dissolved at RT in 8 ml of CH2Cl2. Then 846 mg (1.33 mmol) of 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane 2,4,6-trioxide (50% solution in THF) are added, the mixture is stirred at RT for one hour and then 0.618 ml (4.43 mmol) of triethylamine, 22 mg (0.177 mmol) of 4-dimethylaminopyridine are added. The reaction mixture is stirred at RT for 20 h and then washed twice with 4 ml each time of water, dried over sodium sulfate and concentrated. The residue is purified by column chromatography (prep. HPLC; acetonitrile/water). Yield 80 mg (28%). 1H NMR (400 MHz; DMSO-d6): 12.59 ppm (s broad 1H); 8.49 (d, 1H), 8.11 (d, 1H), 2.85 (q, 2H), 1.28 (t, 3H).
 

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