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[ CAS No. 86604-86-6 ]

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Chemical Structure| 86604-86-6
Chemical Structure| 86604-86-6
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CAS No. :86604-86-6 MDL No. :MFCD12963759
Formula : C8H4ClF3N2 Boiling Point : 322.1°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :220.58 g/mol Pubchem ID :337905
Synonyms :

Safety of [ 86604-86-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 86604-86-6 ]

  • Upstream synthesis route of [ 86604-86-6 ]
  • Downstream synthetic route of [ 86604-86-6 ]

[ 86604-86-6 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 133687-93-1 ]
  • [ 86604-86-6 ]
YieldReaction ConditionsOperation in experiment
91% at 95℃; for 18 h; Intermediate 1 : 2-Chloro-5-(trifluoromethyl)-1 H-benzimidazole; <n="30"/>5-(Trifluoromethyl)-1 ,3-dihydro-2H-benzimidazol-2-one (Intermediate 2, 3.76 g, 18.6 mmol) and phosphoric trichloride (56 ml) were mixed at 95 0C for 18 hours. The solvent was stripped off and the residue treated with toluene (3x30 ml) and evaporated to dryness at 50 0C. The resulting solid was recrystallised from EtOAc. The precipitate was filtered off, washed with Et2O and dried to give the title compound (3.75 g, 17.0 mmol, 91percent). 1 H- NMR (400 MHz, DMSO-d6): δ 7.90 (1 H, s), 7.72 (1 H, d), 7.56 (1 H, dd); UPLC-MS: 0.67 min, m/z 221 [M+H]+.
Reference: [1] Patent: WO2008/129007, 2008, A1, . Location in patent: Page/Page column 28-29
[2] Journal of Medicinal Chemistry, 2016, vol. 59, # 15, p. 7188 - 7211
[3] European Journal of Medicinal Chemistry, 2008, vol. 43, # 7, p. 1390 - 1402
[4] Patent: US2003/36652, 2003, A1,
[5] Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 18, p. 5010 - 5014
[6] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 4, p. 1071 - 1074
[7] Chemical Biology and Drug Design, 2016, vol. 87, # 1, p. 57 - 68
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Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 4, p. 1071 - 1074
[2] Journal of Medicinal Chemistry, 2016, vol. 59, # 15, p. 7188 - 7211
[3] Patent: WO2008/129007, 2008, A1,
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