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Chemical Structure| 404361-77-9 Chemical Structure| 404361-77-9

Structure of 404361-77-9

Chemical Structure| 404361-77-9

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Product Details of [ 404361-77-9 ]

CAS No. :404361-77-9
Formula : C9H10BrNO2
M.W : 244.09
SMILES Code : O=C(OCC)CC1=CC=C(Br)N=C1

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Application In Synthesis of [ 404361-77-9 ]

* 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.

  • Downstream synthetic route of [ 404361-77-9 ]

[ 404361-77-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 197376-47-9 ]
  • [ 404361-77-9 ]
YieldReaction ConditionsOperation in experiment
53% Lithium bromide (3.2 g, 37 mmol) and acetyl bromide (1.3 mL, 17 mmol) were added to a solution of (2-chloro-pyridin-5-yl)acetic acid ethyl ester (1.08 g, 5.42 mmol) in acetonitrile (7.2 mL), and the mixture was heated under reflux at an external temperature of 86 to 94C for 31 hours. The reaction mixture was dissolved in water. The solution was neutralized with a sodium hydroxide aqueous solution, followed by extraction with diethyl ether. The organic layer was dried over anhydrous magnesium sulfate and then concentrated under reduced pressure. The residue was purified by silica gel chromatography (hexane/ethyl acetate = 4/1) to give the title compound (655 mg, 53%). 1H-NMR (chloroform-d): 1.26 (t, 3H, J=7.2Hz), 3.58 (s, 2H), 4.16 (q, 2H, J=7.2Hz), 7.44 (d, 1H, J=8.4Hz), 7.51 (dd, 1H, J=8.4, 2.4Hz), 8.26 (d, 1H, J=2.4Hz); MS (ESI+) : 244 ([M+H]+).
 

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