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Chemical Structure| 66192-04-9 Chemical Structure| 66192-04-9

Structure of 66192-04-9

Chemical Structure| 66192-04-9

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Product Details of [ 66192-04-9 ]

CAS No. :66192-04-9
Formula : C9H8BrClO2
M.W : 263.52
SMILES Code : O=C(O)CCC1=CC=C(Cl)C=C1Br
MDL No. :MFCD18390609

Safety of [ 66192-04-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 66192-04-9 ]

* 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.

  • Upstream synthesis route of [ 66192-04-9 ]

[ 66192-04-9 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 66192-04-9 ]
  • [ 1260017-94-4 ]
YieldReaction ConditionsOperation in experiment
3.7 g With aluminum (III) chloride; oxalyl dichloride In dichloromethane at 40℃; for 3 h; Reflux Oxalylchloride (3.6 ml_) is added dropwise to a solution of 3-(2-bromo-4- chlorophenyl)propanoic acid (4.4 g) in dichloromethane (40 ml_). The m ixture is stirred for 2 hours at 40°C and then treated with AICI3 (2.7 g). The mixture is heated to reflux for 1 hour, cooled to room temperature and partitioned between ethyl acetate and saturated aqueous NaHCO3 solution. The aqueous phase is extracted twice with ethyl acetate and the combined organic phases are washed with brine. After drying (Na2SO4) the solvents are evaporated. The residue is chromatographed on silica gel (cyclohexane/ethyl acetate 95:5→90:10) to give the title compound. Yield: 3.7 g; LC (method 1 ): tR = 1 .20 min; Mass spectrum (ESI+): m/z = 245 [M+H]+.
References: [1] Patent: WO2013/144098, 2013, A1, . Location in patent: Page/Page column 123.
[2] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 16, p. 3368 - 3372.
 

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