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Chemical Structure| 950785-27-0 Chemical Structure| 950785-27-0

Structure of 950785-27-0

Chemical Structure| 950785-27-0

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Product Details of [ 950785-27-0 ]

CAS No. :950785-27-0
Formula : C11H12INO
M.W : 301.12
SMILES Code : O=C1N(CC2=CC=C(I)C=C2)CCC1

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Application In Synthesis of [ 950785-27-0 ]

* 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 [ 950785-27-0 ]

[ 950785-27-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 950785-27-0 ]
  • [ 57631-05-7 ]
  • [ 1092459-32-9 ]
YieldReaction ConditionsOperation in experiment
9% With caesium carbonate;copper(l) iodide; dimethylaminoacetic acid; In dimethyl sulfoxide; at 190℃; for 0.5h;Microwave irradiation; Example 17: 1 -({4-[3-(trifluoromethyl)-1 H-indazol-1 -yl]phenyl}methyl)-2- pyrrolidinone (E17); A mixture of 3-(trifluoromethyl)-1 H-indazole (D17) (75mg, 0.4mmol), 1-[(4- iodophenyl)methyl]-2-pyrrolidinone (D12) (120mg, 0.4mmol), cesium carbonate (261 mg, O.deltammol), copper (I) oxide (6mg, 0.04mmol) and N,N-dimethylglycine (8mg, O.Odeltammol) in dimethylsulfoxide (1.5ml) was stirred at 19O0C for 0.5 hours in a microwave reactor. The reaction mix was then partitioned between dichloromethane and water. The organic layer was added to a 5g isolute silica pre-packed column and eluted with 50:50 ethyl acetate / petroleum ether, material was further purified by mass directed auto-preparation to give the title compound as a yellow oil (13mg, 9%).1 H-NMR (400MHz, CDCI3) delta: 7.93 (1 H, dd, J=8Hz, & 1 Hz), 7.72 (3H, m), 7.52 (1 H, m), 7.45 (2H, d, J=8Hz), 7.37 (1 H, m), 4.55 (2H, s), 3.33 (2H, m), 2.49 (2H, t, J=8Hz), 2.05 (2H, m); LC/MS Retention time 3.29mins/(ES+) 360 (M+H, Ci9H16F3N3O requires 359).
 

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