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Chemical Structure| 381229-48-7 Chemical Structure| 381229-48-7

Structure of 381229-48-7

Chemical Structure| 381229-48-7

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Product Details of [ 381229-48-7 ]

CAS No. :381229-48-7
Formula : C8H3ClF4O2
M.W : 242.56
SMILES Code : O=C(O)C1=CC(C(F)(F)F)=C(F)C(Cl)=C1
MDL No. :MFCD13192650
InChI Key :UYEXBYNDDVJLHJ-UHFFFAOYSA-N
Pubchem ID :11746819

Safety of [ 381229-48-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 381229-48-7 ]

* 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 [ 381229-48-7 ]

[ 381229-48-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 67515-55-3 ]
  • [ 381229-48-7 ]
YieldReaction ConditionsOperation in experiment
To a stirred solution of 2.03 ml of sec-BuLi (1.3M in cyclohexane, 2.64 mmol) and 0.4 ml of TMEDA under argon at -90 C. was added a solution of 0.25 g of <strong>[67515-55-3]4-fluoro-3-trifluoromethyl-benzoic acid</strong> (1.2 mmol) in 8 ml THF over 20 min (temperature kept between -92 C. and -88 C.). After 30 min stirring at the same temperature, the initially light orange suspension turned brown. A solution of 1.14 g of hexachloroethane (4.82 mmol) in 10 ml THF was then added within 2 min (temperature raised to -62 C.). The reaction mixture was then left to warm slowly to RT (1 hour) and treated carefully with 2 ml water. The reaction mixture was then concentrated in vacuo, diluted with water and extracted with diethylether. The aqueous phase was then acidified with concentrated HCl and extrated twice with ethylacetate. The combined ethylacetate phases were subsequently washed with water (3*) and brine (1*), dried over magnesium sulfate, filtered and concentrated in vacuo to yield 0.28 g of a residue which was purified by silicagel chromatography (eluent heptane/AcOEt 90:10 to 75:25) to yield 22 mg of 3-chloro-4-fluoro-5-trifluoromethyl-benzoic acid as a light yellow solid. MS: 241.1 (M-H)-.
 

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