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Chemical Structure| 952569-54-9 Chemical Structure| 952569-54-9

Structure of 952569-54-9

Chemical Structure| 952569-54-9

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Product Details of [ 952569-54-9 ]

CAS No. :952569-54-9
Formula : C10H8INO
M.W : 285.08
SMILES Code : COC1=CC2=C(C=C1)C=CN=C2I
MDL No. :MFCD04037478
InChI Key :ZXCBJXXYBDARBK-UHFFFAOYSA-N
Pubchem ID :820614

Safety of [ 952569-54-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 952569-54-9 ]

* 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 [ 952569-54-9 ]

[ 952569-54-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 39989-39-4 ]
  • [ 952569-54-9 ]
YieldReaction ConditionsOperation in experiment
44% TMPMgCl·LiCl (1.0 M in THF/toluene; 5.65 mL, 5.65 mmol) was added dropwise at roomtemperature to a solution of <strong>[39989-39-4]7-methoxyisoquinoline</strong> (600 mg, 3.77 mmol) in dry THF (11 mL).After 4 h the reaction mixture was cooled to 0C, a solution of iodine (1.43 g, 5.65 mmol) indry THF (6.65 mL) was added dropwise and the resulting mixture stirred while warming to room temperature over 1 h. Sat. aq. NH4Cl (6 mL) and sat. aq. Na2S2O3 (6 mL) were addedand the organic materials extracted using DCM (3 x 50 mL). The combined organic layerswere dried over Na2SO4 and concentrated in vacuo. The resulting crude product was purifiedby flash column chromatography (EtOAc/hexanes 1:9) to give 1-iodo-<strong>[39989-39-4]7-methoxyisoquinoline</strong>(S1) (469 mg, 1.64 mmol, 44%) as a yellowish solid.
 

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