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Chemical Structure| 695188-21-7 Chemical Structure| 695188-21-7

Structure of 695188-21-7

Chemical Structure| 695188-21-7

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Product Details of [ 695188-21-7 ]

CAS No. :695188-21-7
Formula : C7H3BrClFO
M.W : 237.45
SMILES Code : O=C(Cl)C1=CC=C(Br)C(F)=C1
MDL No. :MFCD09746051

Safety of [ 695188-21-7 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H314
Precautionary Statements:P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501
Class:8
UN#:3265
Packing Group:

Application In Synthesis of [ 695188-21-7 ]

* 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 [ 695188-21-7 ]

[ 695188-21-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 695188-21-7 ]
  • [ 18107-18-1 ]
  • [ 1003879-02-4 ]
  • [ 1260857-14-4 ]
YieldReaction ConditionsOperation in experiment
EXAMPLE 96(RS)-5-Chloro-N-(2-fluoro-4-(morpholin-2-yl)phenyl)pyrimidin-2-aminea) 2-Bromo-1-(4-bromo-3-fluoro-phenyl)-ethanone & 2-Chloro-1-(4-bromo-3-fluoro-phenyl)-ethanoneTo a stirred solution of 4-bromo-3-fluorobenzoyl chloride (5.4 g, CAS 695188-21-7) in acetonitrile (60 ml) and THF (60m1) at 0-5 C. was added dropwise (trimethylsilyl)diazomethane (13.6 ml, 2 M solution in diethyl ether). The reaction mixture was stirred at room temperature for 30 min. TLC analysis showed the reaction was complete. Hydrobromic acid (5.15 ml) was then added dropwise at 0-5 C. and the reaction mixture was stirred at room temperature for 1 hour. The reaction mixture was then poured into EtOAc and extracted sequentially with aq. Na2CO3 solution, water and saturated brine. The organic layer was then dried over Na2SO4 and concentrated in vacuo to afford a ca 1:1 mixture of 2-bromo-1-(4-bromo-3-fluoro-phenyl)-ethanone and 2-chloro-1-(4-bromo-3-fluoro-phenyl)-ethanone (6.16 g) as a light yellow solid which was used in the next step without further purification. MS (EI): 203.2 ([{81Br}M1-CH2Cl]+ & [{81Br}M2-CH2Br]+), 201.2 ([{79Br}M1-CH2Cl]+ & [{79Br}M2-CH2Br]+).
To a stirred solution of 4-bromo-3-fluorobenzoyl chloride (5.4 g, CAS 695188-21-7) in acetonitrile (60 ml) and THF (60ml) at 0-5 C was added dropwise (trimethylsilyl)diazomethane (13.6 ml, 2 M solution in diethyl ether). The reaction mixture was stirred at room temperature for 30 min. TLC analysis showed the reaction was complete. Hydrobromic acid (5.15 ml) was then added dropwise at 0-5 C and the reaction mixture was stirred at room temperature for 1 hour. The reaction mixture was then poured into EtOAc and extracted sequentially with aq. Na2C03 solution, water and saturated brine. The organic layer was then dried over Na2S04 and concentrated in vacuo to afford a ca 1: 1 mixture of 2-bromo-l-(4-bromo-3-fluoro-phenyl)- ethanone and 2-chloro-l-(4-bromo-3-fluoro-phenyl)-ethanone (6.16 g) as a light yellow solid which was used in the next step without further purification. MS (EI): 203.2 ([{81Br}Mi-CH2Cl]+ & [{ 81Br}M2-CH2Br]+), 201.2 ([{79Br}Mi-CH2Cl]+ & [{79Br}M2-CH2Br]+).
  • 2
  • [ 695188-21-7 ]
  • [ 42182-27-4 ]
  • [ 1620677-19-1 ]
 

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