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Chemical Structure| 1240567-67-2 Chemical Structure| 1240567-67-2

Structure of 1240567-67-2

Chemical Structure| 1240567-67-2

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Product Details of [ 1240567-67-2 ]

CAS No. :1240567-67-2
Formula : C5H7Br2N3
M.W : 268.94
SMILES Code : CC(N1N=C(Br)N=C1Br)C
MDL No. :MFCD16811118
InChI Key :ZAGBJNJSWLSJCN-UHFFFAOYSA-N
Pubchem ID :69935870

Safety of [ 1240567-67-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 1240567-67-2 ]

* 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 [ 1240567-67-2 ]

[ 1240567-67-2 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 349-58-6 ]
  • [ 1240567-67-2 ]
  • 5-[3,5-bis(trifluoromethyl)phenoxy]-3-bromo-1-(propan-2-yl)-1H-1,2,4-triazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
45% With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 100℃; for 1h;Microwave irradiation; To a solution of 3,5-dibromo-1-(propan-2-yl)-1H-1,2,4-triazole (lnt-2, 500 mg, 1.9 mmol) and 3,5-bis(trifluoromethyl)phenol (0.5 mL, 3.2 mmol) in DMF (5 mL) was added 1,8- diazabicyclo[5.4.0]undec-7-ene ("DBU", 0.6 mL, 3.7 mmol). The stirring was continued in microwave at 100°C for 1 h. After complete consumption of starting material (as monitored by TLC) reaction mixture was poured into water and extracted with MTBE. The organic layer was separated and dried over sodium sulphate. Solvent was evaporated under reduced pressure and purified by combi-flash column chromatography (silica gel, eluting with ethyl acetate / n-hexane 2:98 v/v) to afford the title compound as white solid (350 mg, 45percent). MS (ES+) m/z 420.0.
  • 2
  • [ 827-99-6 ]
  • [ 1240567-67-2 ]
  • 3-bromo-1-(propan-2-yl)-5-[3-(trifluoromethoxy)phenoxy]-1,2,4-triazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% With potassium carbonate; In N,N-dimethyl-formamide; at 145℃; for 1h;Microwave irradiation; To a solution of 3,5-dibromo-1-(propan-2-yl)-1H-1,2,4-triazole (Int-2, 500 mg, 1.9 mmol) and <strong>[827-99-6]3-(trifluoromethoxy)phenol</strong> (330.9 mg, 1.9 mmol) in DMF (2.5 mL) was added K2C03(513.1 mg, 3.7 mmol). The stirring was continued in microwave at 145°C for 1 h. After complete consumption of starting material (as monitored by TLC) reaction mixture was poured into water and extracted with MTBE. The organic layer was separated and dried over sodium sulphate. Solvent was evaporated under reduced pressure and purified by combi-flash column chromatography (silica gel, eluting with ethyl acetate / n-hexane 2:98 v/v) to afford the title compound as white solid (550 mg, 80percent). 1H NMR (CDCl3, 300 MHz): 1.23-1.32 (m, 2 H), 1.38 (s, 6 H), 1.40-1.45 (m, 2 H), 1.82-1.93 (m, 2 H), 2.01-2.12 (m, 2 H), 2.45-2.52 (m, 2 H), 3.01 (d, J = 4.8 Hz, 3 H), 3.13-3.18 (m, 2 H), 3.62 (s, 2 H), 4.02 (d, J = 5.4 Hz, 1 H), 4.05-4.13 (m, 1 H), 4.56 (br s, 1 H), 4.71 (br s, 1 H), 7.02 (dd, J= 8.4, 9.2 Hz, 2 H), 7.59-7.66 (m, 2 H). MS (ES+) m/z 397.3 [M+H].
  • 3
  • [ 1240567-67-2 ]
  • [ 141483-15-0 ]
  • 3-bromo-5-[2-fluoro-5-(trifluoromethyl)phenoxy]-1-(propan-2-yl)-1H-1,2,4-triazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
33% With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 145℃; for 1h;Microwave irradiation; o a solution of 3,5-dibromo-1-(propan-2-yl)-1H-l,2,4-triazole (Int-2, 1.0 g, 3.7 mmol) and 2- fluoro-5-(trifluoromethyl)phenol (670 mg, 3.7 mmol) in DMF (10 mL) was added 1,8- diazabicyclo[5.4.0]undec-7-ene ("DBU", 1.1 mL, 7.4 mmol). The stirring was continued in microwave at 145C for 1 h. After complete consumption of starting material (as monitored by TLC) reaction mixture was poured into water and extracted with MTBE. The organic layer was separated and dried over sodium sulphate. Solvent was evaporated under reduced pressure and purified by combi-flash column chromatography (silica gel, eluting with ethyl acetate / n-hexane2:98 v/v) to afford the title compound as white solid (450 mg, 33%). 1H NMR (DMSO-d6, 400 MHz): 1.44 (d, J = 6.6 Hz, 6 H), 4.67 (p, J= 6.6 Hz, 1 H), 7.73 (t, J = 9.5 Hz, 1 H), 7.78 - 7.87 (m, 1 H), 8.19 (d, / = 5.5 Hz, 1 H). MS (ES+) m/z 370.0 [M+H].
 

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[ 1240567-67-2 ]

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