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Chemical Structure| 31396-84-6

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Product Details of [ 31396-84-6 ]

CAS No. :31396-84-6
Formula : C32H6F16N8Zn
M.W : 871.83
SMILES Code : Fc1c(F)c(F)c2c3nc(nc4n5[Zn]n6c(n3)c7c(F)c(F)c(F)c(F)c7c6nc8nc(nc5c9c(F)c(F)c(F)c(F)c49)c%10c(F)c(F)c(F)c(F)c8%10)c2c1F
MDL No. :MFCD00216667

Safety of [ 31396-84-6 ]

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

Application In Synthesis of [ 31396-84-6 ]

* 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 [ 31396-84-6 ]

[ 31396-84-6 ] Synthesis Path-Downstream   1~10

  • 2
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  • zinc dibromide [ No CAS ]
  • [ 31396-84-6 ]
YieldReaction ConditionsOperation in experiment
8.3 g With 1,8-diazabicyclo[5.4.0]undec-7-ene; In pentan-1-ol; at 130℃; for 8h; 3,4,5,6- tetrafluoro phthalonitrile 0.05 mol, ofzinc bromide 0.015mol, and , 1,8- diazabicyclo [5.4.0] undec-7-en 0.05 mol were added to amyl alcohol 66 g andstirred. Thereaction temperature was raised to 130 andthe reaction was carried out for 8 hours. After the reaction was complete, thereaction solution was cooled down. The crystals were filtered under reducedpressure and were dispersedly filtered in the mixed solution of methanol 50gfor 1 hour. The crystals were suction filtered and vacuum dried at 60 toobtain phthalocyanine compound 8.3 g.
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YieldReaction ConditionsOperation in experiment
EXAMPLE 25 : SYNTHESIS OF PENTA (CYCLOHEXYLAMINO)-MONO (5-ETHYL-1, 3-DIOXANE-5- methyloxy)-decafluoro-phthalocyaninatozinc(II) [00167] Considering that the use of nBuLi with an alcohol in the second step might cause A-DEPROTONATION on the already attached amine, the order of the steps was switched. Since the amines are weaker nucleophiles than the alkoxides care was taken to ensure that too many fluorines were not replaced in the first step so that the amine can react as well. So this time a mixture of 1 ml 5-ethyl-1, 3-dioxane-5-methanol and 0.1 ml was stirred for 15 minutes at room temperature. After that 10 mg OF FL6ZNPC were added and the whole mixture was heated to 80C for 3 h. Since no colour change occurred the mixture was heated to 115C for 10 more minutes. Purification was done by silica gel chromatography using THF as the eluent. Since it did not remove all the alcohol (sample still liquid after the column), the sample was dried by air flow over night (it did not work very well either). The MALDI-MS shows substitution of 0 to 3 fluorines by the alcohol. This product was then dissolved in cyclohexylamine and heated to 110C for 1 hour. Purification was done by silica gel chromatography using ethyl acetate as the eluent. The MALDI-MS shows the following substitution pattern: 5-Ethyl-1, 3-dioxane-5-methanol Cyclohexykmine 1 3 1229 2 2 1277 1 4 1307- 3 1 1324 2 3 1352 1 5 1386- 3 2 1402 2 4 1432 1 3 1466 3 3 1481 2 5 1513 3 4 1560 [00168] The reaction scheme for the synthesis of this product is provided in Figure 20. A mixture of 2-3 ml 1-OCTANETHIOL and 0.1 ml nBuLi was stirred at room temperature for 15 minutes, then added to the product of the previous step and heated to 120C for 5 hours. The thiol was then evaporated by leaving the open flask under an air flow over night. The remaining product was purified by silica gel chromatography using ethyl acetate as the eluent. A brown fraction was collected.
YieldReaction ConditionsOperation in experiment
Example 24: Synthesis of Penta(cyclohexylamino)-mono(5-ethyl-1,3-dioxane-5- methyloxy)-decafluoro-phthalocyaninatozinc(II) [00164] FL6ZNPC (10 mg) was dissolved in 1-2 ml of cyclohexylamine and heated to 100C for 1 hour. The product was purified by silica gel chromatography using ethyl acetate as the eluent, and then added to a mixture of 1 ml 5-ethyl-1, 3-dioxane-5-methanol and 0.1 ml nBuLi, which had been stirred at room temperature for 15 minutes before. The whole reaction mixture was heated to 100-120C for 1 hour. The product was purified by silica gel chromatography using a mixture of hexanes : ethyl acetate = 1: 1 as the eluting solvent. A brown fraction was collected. The MALDI-MS shows the following substitution pattern: Cyclohexylamine 5-Ethyl-l, 3-dioxane-5-methanol nnlz 3 0 1100 4 0 1182 5 0 1261 4 1 1307 6 0 1338 5 1 1387 4 2 1432 5 2 1513 [00165] The reaction scheme for the synthesis of this product is provided in Figure 19.
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  • [ 7646-85-7 ]
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