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Chemical Structure| 84741-86-6 Chemical Structure| 84741-86-6

Structure of 84741-86-6

Chemical Structure| 84741-86-6

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Product Details of [ 84741-86-6 ]

CAS No. :84741-86-6
Formula : C10H6ClNO
M.W : 191.61
SMILES Code : O=C(Cl)C1=CC2=CC=CC=C2N=C1
MDL No. :MFCD11100097

Safety of [ 84741-86-6 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314-H290
Precautionary Statements:P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Class:8
UN#:3261
Packing Group:

Application In Synthesis of [ 84741-86-6 ]

* 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 [ 84741-86-6 ]

[ 84741-86-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 67-56-1 ]
  • [ 84741-86-6 ]
  • [ 53951-84-1 ]
YieldReaction ConditionsOperation in experiment
100% With triethylamine; at 20℃; A solution of 3-quinolonecarboxylic acid (476 mg, 2.75 mmol) in thionyl chloride (3.0 mL) was stirred at 60 C for 6 hours. To the solution were added MeOH (10 mL) and triethylamine (4.0 mL) then the reaction mixture was stirred overnight at room temperature. The reaction mixture was purred into water and extracted with ethyl acetate and washed with brine. The combined organic layer was dried over Na2SO4 and concentrated under vacuo. The resulting colorless powder was purified by silica gel columnchromatography (CHCl3/MeOH 10:1) to give methyl quinoline-3-carboxylate (12C-8b) (514 mg, 100% yield) as a colorless powder: 1H NMR (300 MHz, CDCl3) 1H NMR (300 MHz, CDCl3) d 9.45 (d, J = 2.2 Hz, 1 H), 8.85 (d, J = 1.8 Hz, 1 H), 8.17 (d, J = 8.4 Hz, 1 H), 7.94 (d, J = 8.4 Hz, 1 H), 7.84 (dd, J = 7.3, 8.1 Hz, 1 H), 7.63 (dd, J = 7.3, 8.1 Hz, 1 H), 4.03 (s, 3H); 13C NMR (75.5 MHz, CDCl3)d 165.81, 149.96, 149.78, 138.77, 131.85, 129.44, 129.08, 127.43, 126.80, 122.96, 52.46. GC-MS (EI) [M]+ 187, [M-OCH3]+ 156, [M-COOCH3]+ 128.
 

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