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Chemical Structure| 1006-50-4 Chemical Structure| 1006-50-4

Structure of 1006-50-4

Chemical Structure| 1006-50-4

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Product Details of [ 1006-50-4 ]

CAS No. :1006-50-4
Formula : C9H6IN
M.W : 255.06
SMILES Code : IC1=C2C=CC=NC2=CC=C1
MDL No. :MFCD11183301

Safety of [ 1006-50-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 1006-50-4 ]

* 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 [ 1006-50-4 ]

[ 1006-50-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 40318-15-8 ]
  • [ 1006-50-4 ]
  • 3-methoxycarbonyl-4-methyl-1-(quinol-5-yl)-1H-pyrrole [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium phosphate; copper(l) iodide; trans-1,2-cyclohexanediamine; In 1,4-dioxane; dodecane, n-; at 22 - 110℃; for 22h; 12 cm3 of 1,4-dioxane, 0.27 cm3 of n-dodecane, 2.3 g (9.017 [MMOL)] of 5-iodoquinoline and 0.863 cm3 (7.19 [MMOL)] [OF TRANS-1, 2-CYCLOHEXANEDIAMINE] are added to 1 g (7.18 [MMOL)] of 3-methoxycarbonyl-4-methyl-1 H-pyrrole, 3.2 g (15.09 [MMOL)] of potassium orthophosphate and 0.1 g (0.47 [MMOL)] of copper iodide at a temperature in the region of [22C] under an argon atmosphere : After stirring for 24 hours at a temperature in the region of [110C,] the reaction mixture is concentrated to dryness under reduced pressure (2.7 kPa). The residue is diluted with 300 cm3 of ethyl acetate, and the solution obtained is washed three times with 100 cm3 of water and then with 100 cm3 of saturated aqueous sodium chloride solution. After separation of the phases by settling, the organic phase is dried over anhydrous magnesium sulphate, filtered and concentrated to dryness under reduced pressure (2.7 kPa), giving 2.5 g of [A YELLOW OIL,] which is purified by flash chromatography on silica gel [eluent : cyclohexane/ethyl [ ACETATE (80/20 BY VOLUME) ]. AFTER THE FRACTIONS CONTAINING THE EXPECTED PRODUCT HAVE] been concentrated to dryness under reduced pressure, 0.85 g of 3-methoxycarbonyl-4- methyl-1-(quinolin-5-yl)-1 H-pyrrole is obtained in the form of an amber-colored solid melting at [73C.]
 

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