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Chemical Structure| 26167-45-3 Chemical Structure| 26167-45-3

Structure of 26167-45-3

Chemical Structure| 26167-45-3

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Product Details of [ 26167-45-3 ]

CAS No. :26167-45-3
Formula : C10H7BrOS
M.W : 255.13
SMILES Code : O=C(C1=CSC2=CC=CC=C21)CBr
MDL No. :MFCD00176410
InChI Key :CKHWNGWAHFLCTJ-UHFFFAOYSA-N
Pubchem ID :2776341

Safety of [ 26167-45-3 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314
Precautionary Statements:P280-P305+P351+P338-P310
Class:8
UN#:3261
Packing Group:

Application In Synthesis of [ 26167-45-3 ]

* 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 [ 26167-45-3 ]

[ 26167-45-3 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 1128-05-8 ]
  • [ 26167-45-3 ]
YieldReaction ConditionsOperation in experiment
75% With copper(ll) bromide In chloroform; ethyl acetate for 3 h; Reflux The benzothiophene alkanone (21mmol) was dissolved in ethyl acetate(50ml) and chloroform(50ml), then CuBr2(40.2mmol) was added, the reaction was performed under refluxing for 3 hours. CuBr produced was filtered out. The filtrate was washed with water (20mlx3), dried with anhydrous Na2SO4 overnight. The desiccant was filtered, the residue was washed with a small amount of ethyl acetate. The solvent of the filtrate was evaporated. Light yellow crystalline solid was obtained by recrystallization with ethanol. The yield was about 75percent.
50.9% With sodium acetate; phosphorus tribromide In acetonitrile at 80℃; [05481 To a solution of 1-(benzo[b]thiophen-3-yl)ethanone (4-G) (1.63 g, 10.0 mmol) in CH3CN (60 mL) was added PyBr3 (3.19 g, 10 mmol) and CH3COONa (820 mg, 10.0 mmol), the mixture was stirred at 80°C overnight. The mixture was washed with water and the organic layer was collected. The solvent was removed and the residue was purified by silica gel colunm (PE/EA = 20/1 to 5/1) to afford 4-H as a white solid (1.3 g, 50.9percent).
References: [1] Patent: EP2311828, 2011, A1, . Location in patent: Page/Page column 9.
[2] Tetrahedron Asymmetry, 2008, vol. 19, # 16, p. 1959 - 1964.
[3] Patent: WO2014/31784, 2014, A1, . Location in patent: Paragraph 0548.
[4] Journal of Chemical Research, Miniprint, 1994, # 5, p. 1042 - 1059.
[5] Journal of Scientific and Industrial Research, 1955, vol. 14 B, p. 11.
[6] Journal of Medicinal Chemistry, 1986, vol. 29, # 9, p. 1577 - 1586.
[7] Patent: US5869492, 1999, A, .
[8] Patent: US5869492, 1999, A, .
  • 2
  • [ 95-15-8 ]
  • [ 26167-45-3 ]
References: [1] Journal of Chemical Research, Miniprint, 1994, # 5, p. 1042 - 1059.
 

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