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Structure of 180146-66-1

Chemical Structure| 180146-66-1

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Product Details of [ 180146-66-1 ]

CAS No. :180146-66-1
Formula : C8H6F3NO3
M.W : 221.13
SMILES Code : OCC1=CC(C(F)(F)F)=CC([N+]([O-])=O)=C1
MDL No. :MFCD11040241
Boiling Point : No data available
InChI Key :WSIIHVBSVSJXMQ-UHFFFAOYSA-N
Pubchem ID :18621888

Safety of [ 180146-66-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362

Application In Synthesis of [ 180146-66-1 ]

* 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 [ 180146-66-1 ]

[ 180146-66-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 22227-63-0 ]
  • [ 180146-66-1 ]
YieldReaction ConditionsOperation in experiment
55% To lithium aluminium hydride (0.32 g, 8.7 mmol) in tetrahydrofuran (8 mL) was carefully, and drop wise, added a solution of <strong>[22227-63-0]5-trifluoromethyl-3-nitrobenzoate methyl ester</strong> in tetrahydrofuran (2 mL) and stirred at room temperature over night. The reaction was quenched with careful addition of water (20 mL) then acidified using hydrochloric acid (3 M) and finally extracted with diethylether (3 x 50mL). The combined organic phases were dried (magnesium sulphate) and the solvent was removed under vacuum. The residue was purified on silica gel column (diethyl ether/heptane 1 : 3) to provide 0.35 g, (55percent) of 5-trifluoromethyl-3-nitrobenzylalcohol.
55% To lithium aluminium hydride (0.32 g, 8.7 mmol) in tetrahydrofuran (8 mL) was carefully, and drop wise, added a solution of <strong>[22227-63-0]5-trifluoromethyl-3-nitrobenzoate methyl ester</strong> in tetrahydrofuran (2 mL) and stirred at room temperature over night. The reaction was quenched with careful addition of water (20 mL) then acidified using hydrochloric acid (3 M) and finally extracted with diethylether (3 x 50mL). The combined organic phases were dried (magnesium sulphate) and the solvent was removed under vacuum. The residue was purified on silica gel column (diethylether/heptane 1 : 3) to provide 0. 35 g, (55percent) of 5-trifluoromethyl-3-nitrobenzylalcohol.
 

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