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Chemical Structure| 189813-45-4 Chemical Structure| 189813-45-4

Structure of 189813-45-4

Chemical Structure| 189813-45-4

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Product Details of [ 189813-45-4 ]

CAS No. :189813-45-4
Formula : C11H12ClNO3
M.W : 241.67
SMILES Code : O=C(OC)/C(C1=CC=CC=C1CCl)=N/OC
MDL No. :MFCD16038450

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Application In Synthesis of [ 189813-45-4 ]

* 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 [ 189813-45-4 ]

[ 189813-45-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 189813-45-4 ]
  • [ 95-48-7 ]
  • [ 143390-89-0 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In N,N-dimethyl-formamide; at 20 - 50℃; for 64h; Example 7: Synthesis of Kresoxim-methyl from CLMOCLMO Kreosim-methylTo a mixture of o-Kresol (2.0 g, 18 mmol) and potassium carbonate (6.0 g, 43 mmol) in DMF (6 mL), a solution of CLMO in DMF (45 w/w%, 9.7 g, 18 mmol) was added at room temperature. Then the suspension was heated to 500C upon stirring for 64 hours. Water (100 mL) was subsequently added and the aqueous phase was extracted with ethyl acetate (3 x 70 mL). The combined organic phases were washed with water (1 x 100 mL), dried over sodium sulfate and then volatile compounds were evaporated in vacuo to give an orange-red oil (5.4 g, 59 area% Kresoxim-methyl according to GC). The product was purified by medium-pressure column chromatography using silica 60 and heptane/ethyl acetate (7/1 ) as eluent. Product-containing fractions were combined and dried in vacuo to give Kresoxim- methyl as a white solid (0.5 g).GC: 99 area% Kresoxim-methyl. GC/MS (El): [M]+ found (313). 1H NMR (CDCI3) delta = 7.58 (d, 1 H, J = 7.6 Hz, Harom), 7.47-7.37 (m, 2H,Harom), 7.21 (dd, 1 H, J1 = 7.6 Hz, J2 = 1.2 Hz, Harom), 7.12 (m, 2H, Harom), 6.85 (m, 1 H, Harom), 6.77 (d, 1 H, J = 8,4 Hz), 4.95 (s, 2H, CH2), 4.01 (s, 3H, NO-CH3), 3.82 (s, 3H, COOCH3), 2,25 (s, 3H, Ar-CH3).13C NMR (CDCI3) delta = 163.3 (C=O), 156.6, 149.4 (C=N), 135.8, 130.8, 130.7, 129.7, 129.0, 128.6, 127.6, 127.0, 126.8, 120.7, 1 11.2 (all Carom), 68.1 (CH2), 63.9 (NOCH3), 53.0 (COOCH3), 16.31 (Ar-CH3).
 

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