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Chemical Structure| 2407-68-3 Chemical Structure| 2407-68-3

Structure of 2407-68-3

Chemical Structure| 2407-68-3

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Product Details of [ 2407-68-3 ]

CAS No. :2407-68-3
Formula : C5H8N2
M.W : 96.13
SMILES Code : N#C/C=C/N(C)C
MDL No. :MFCD00001929

Safety of [ 2407-68-3 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H315-H319
Precautionary Statements:P264-P270-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501
Class:6.1
UN#:2810
Packing Group:

Application In Synthesis of [ 2407-68-3 ]

* 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 [ 2407-68-3 ]

[ 2407-68-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 422-64-0 ]
  • [ 2407-68-3 ]
  • [ 1037593-83-1 ]
YieldReaction ConditionsOperation in experiment
88% With phosgene; triethylamine; In toluene; at 5 - 20℃;Cooling with ice; Inert atmosphere; Example 11; Synthesis of 3-dimethylamino-2-(pentafluoroethylcarbonyl)acrylonitrile (V) using <strong>[422-64-0]pentafluoropropionic acid</strong> and phosgene; [Show Image] Under a nitrogen atmosphere, 10.00 g of Compound (I) having a purity of 95% and 20.05 g of triethylamine were added to 210 g of toluene, and the mixture was cooled with ice. To the mixture, 16.25 g of <strong>[422-64-0]pentafluoropropionic acid</strong> was added dropwise, and the mixture was cooled to 5C. 12.8 g of phosgene was introduced thereinto over about 20 minutes. Then, the temperature of the mixture was increased to room temperature, and the mixture was stirred for 2 hours. Water and ethyl acetate were added thereto for liquid separation, and the separated organic layer was washed with saturated sodium bicarbonate solution. The organic layer was dried with magnesium sulfate, and then filtration was performed. The obtained filtrate was concentrated under reduced pressure, and IPE was added and stirred. Then, the precipitate was separated by filtration. 21.03 g of a pale yellow solid was obtained as the above-captioned Compound (V) (88%). 1H NMR(CDCl3) delta3.39 (3H, s), 3.56 (3H, s), 7.98 (1H, s). 13C NMR(CDCl3) delta39.51, 49.11, 76.69, 108.39 (tq, J=38.6, 268.4Hz), 115.88, 118.05 (tq, J=34.0, 286.8Hz), 160.10, 178.13 (t, J=25.7Hz). IR(KBr) 1117, 1155, 1220, 1310, 1354, 1612, 1681, 2202 cm-1. Melting point: 101.1-102.5C.
88% With phosgene; triethylamine; In toluene; at 5 - 20℃;Inert atmosphere; Cooling with ice; [Example 22]; Acylation: Synthesis of Compound (XIV) from <strong>[422-64-0]pentafluoropropionic acid</strong> and phosgene; Under a nitrogen atmosphere, 10.00 g of Compound (I) having a purity of 95% and 20.05 g of triethylamine were added to 210 g of toluene, followed by cooling with ice. Thereto, 16.25 g of <strong>[422-64-0]pentafluoropropionic acid</strong> was added dropwise, followed by cooling to 5C. Thereto, 12.8 g of phosgene was introduced over about 20 min, followed by heating to room temperature, further followed by stirring for 2 hours. Thereto, water and ethyl acetate were added for liquid separation, and the separated organic layer was washed with a saturated sodium bicarbonate solution. The organic layer was dried with magnesium sulfate, followed by filtering. The resulted filtrate was concentrated under reduced pressure, diisopropyl ether was added thereto, followed by stirring, and further followed by collecting the precipitate by filtration. The resulted pale yellow solid was Compound (XIV) shown in the title (21.03 g, 88%). 1H NMR (CDCl3) delta3.39 (3H, s), 3.56 (3H, s), 7.98 (1H, s) 13C NMR (CDCL3) delta39.51, 49.11, 76.69, 108.39 (tq, J = 38.6 Hz, 268.4 Hz), 115.88, 118.05 (tq, J = 34.0, 286.8 Hz), 160.10, 178.13 (t, J = 25.7 Hz) IR (KBr) 1117, 1155, 1220, 1310, 1354, 1612, 1681,2202 cm-1 Melting temperature: 101.1 to 102.5C
 

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