ChemicalBook CAS DataBase List HEXAHYDRO-1,3,5-TRINITRO-1,3,5-TRIAZINE

HEXAHYDRO-1,3,5-TRINITRO-1,3,5-TRIAZINE synthesis

5synthesis methods

Product Name:HEXAHYDRO-1,3,5-TRINITRO-1,3,5-TRIAZINE
CAS Number:121-82-4
Molecular formula:C3H6N6O6
Molecular Weight:222.12

30805-19-7
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$144.00/250mg

121-82-4
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$22.39/001s-1.2ml

Yield:121-82-4 63%

Reaction Conditions:

with nitric acid;trifluoroacetic anhydride in nitromethane at 0 - 20; for 4 h;

Steps:

1,3,5-Trinitro-hexahydro-s-triazine (1, RDX)
A round-bottomed flask equipped with magnetic stirring bar was filled with CH₃NO₂ (2 mL) and TFAA (1.68 g, 1.12 mL, 8 mmol, 8 equiv). The mixture was stirred and cooled in an ice bath while 100 % HNO₃ (252 mg, 4 mmol, 4 equiv) was added dropwise over 5 min. The mixture was stirred in the ice bath for 15 min. Next, 5 (255 mg, 1 mmol) was added in one portion into the reaction mixture and all the solids dissolved in about 3 min. The cooling bath was removed and the mixture was stirred at RT for 4 h. After this time a white solid had precipitated. The mixture was rotary evaporated (10 torr, 25 °C bath) to remove the solvent and other volatiles. The solid residue was slurried with EtOH (3 mL) and filtered to obtain the product as a white powder (140 mg, 63 %) that required no further purification.

References:

Davis, Matthew C.;Imler, Gregory H. [Tetrahedron Letters,2020,vol. 61,# 51,art. no. 152665] Location in patent:supporting information

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