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Chemical Structure| 131805-94-2 Chemical Structure| 131805-94-2

Structure of 131805-94-2

Chemical Structure| 131805-94-2

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Product Details of [ 131805-94-2 ]

CAS No. :131805-94-2
Formula : C10H5BrF6O
M.W : 335.04
SMILES Code : FC(F)(F)C1=CC(=CC(=C1)C(=O)CBr)C(F)(F)F
MDL No. :MFCD00792434
InChI Key :ZEKBFXJTIAEUOF-UHFFFAOYSA-N
Pubchem ID :2736170

Safety of [ 131805-94-2 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H314
Precautionary Statements:P501-P260-P270-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405
Class:8
UN#:1759
Packing Group:

Application In Synthesis of [ 131805-94-2 ]

* 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 [ 131805-94-2 ]

[ 131805-94-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 214834-18-1 ]
  • [ 131805-94-2 ]
  • C21H22F6N2O2S [ No CAS ]
YieldReaction ConditionsOperation in experiment
In tetrahydrofuran; ethanol; at 20℃; The bromoketone (0.25 g, 0.75 mmol) was dissolved in 1 :4 ethyl alcohol/THF (20 mL), the thioamide (SeeExample 1 Step 9 (0.20 g, 0.82 mmol) added, and the mixture stirred at room temperature overnight. The mixture was diluted with 4: t water / saturated NaHCO3 followed by aqueous/EtOAc work-up and silica gel chromatography (EtOAc : hexanes (1:4)) to afford the titled compound.
  • 2
  • [ 131805-94-2 ]
  • [ 89226-13-1 ]
  • (4-(3,5-bis(trifluoromethyl)phenyl)thiazol-2-yl)methanamine [ No CAS ]
YieldReaction ConditionsOperation in experiment
60% In ethanol; for 3h;Reflux; Preparation of (4-(3, 5-bis(trifluoromethyl)phenyl)thiazol-2-yl)methanamine (108)To a mixture of 1-(3,5-bis(trifluoromethyl)phenyl)-2-bromoethanone (1) (2.3 g, 6.8mmol) in ethanol (95%, 40 mL) was added <strong>[89226-13-1]tert-butyl (2-amino-2-thioxoethyl)carbamate</strong> (107)(1.3 g, 6.8 mmol). The mixture was heated at reflux for 3 hours then cooled to room temperature. The solvent was removed in vacuo, and the resultant yellow solid was taken up into boiling ethyl acetate and recrystallized to afford (4-(3,5-bis(trifluoromethyl)phenyl)thiazol-2-yl)methanamine (108) as a pale yellow solid (1.5 g, 60%). Synthesis confimed by LCMS and MS (positive ion mode).
 

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