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[ CAS No. 1239608-21-9 ]

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Chemical Structure| 1239608-21-9
Chemical Structure| 1239608-21-9
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Product Details of [ 1239608-21-9 ]

CAS No. :1239608-21-9 MDL No. :MFCD34186902
Formula : C20H10O8 Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :378.29 g/mol Pubchem ID :-
Synonyms :

Safety of [ 1239608-21-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1239608-21-9 ]

  • Downstream synthetic route of [ 1239608-21-9 ]

[ 1239608-21-9 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 857250-41-0 ]
  • [ 432025-97-3 ]
  • 1,1'-butadiynebenzene-3,3',5,5'-tetracarboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
95.2% In a 200 ml three-neck flask, 34.5 g of dimethyl 5-(3-hydroxy-3-methylbutyl-1-yl)isophthalate (the compound represented by the formula (2)), 60 g of water, and 2.2 g of ascorbic acid (a reducing agent) were added in a nitrogen stream, and stirred. Added thereto was 60 g of a 25% aqueous solution of sodium hydroxide, and thereafter, the mixture was heated and the temperature thereof was elevated to 80 C. The mixture was reacted at 80 C. for 4 hours, and thereafter, cooled down to 50 C. Added thereto was activated carbon, and stirred for 30 minutes. Subsequently, the activated carbon was removed by suction filtration using celite, and water used for washing a filter element was also added thereto. 50.7 g of 35.5% concentrated hydrochloric acid was added to the aforementioned aqueous solution, and the inner temperature was once elevated to 80 C., and thereafter, gradually cooled down to room temperature over 4 hours. A precipitated product was taken out by suction filtration, and washed with 50 g of running distilled water and dried by air at 50 C. for 2 days, whereby 22.6 g of white powder of 5-ethynylisophthalic acid was obtained (yield percent: 95.2%).The white powder thus obtained was analyzed based on HPLC. The area ratio of light absorbance at 254 nm was 97.8%, and 1,4-bis(3,5-dicarboxylphenyl)-1,3-butadiyne that is an oxidation by-product was almost not detected.
93.5% 5-ethylnylisophthalic acid was synthesized without using ascorbic acid in Example 2, and was taken out by distillation under reduced pressure (yield: 22.2 g, percent yield: 93.5%).This product was analyzed based on HPLC, and the area ratio of the light absorbance at 254 nm was 81.1%, and 1,4-bis(3,5-dicarboxylphenyl)-1,3-butadiyne that is an oxidation by-product was detected at the area ratio of 16. 9%.
  • 2
  • [ 67-56-1 ]
  • [ CAS Unavailable ]
  • [ 1239608-21-9 ]
  • [ 7697-37-2 ]
  • [ 68-12-2 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
86% With HNO3 In methanol; N,N-dimethyl-formamide mixt. tetracarboxylic acid, Eu(NO3)3*nH2O, DMF, MeOH and HNO3 was heatedat 85°C for 17 h; elem. anal.;
  • 3
  • [ 1314941-51-9 ]
  • [ 1239608-21-9 ]
YieldReaction ConditionsOperation in experiment
85% Stage #1: tetramethyl 1,1'-butadiynebenzene-3,3',5,5'-tetracarboxylate With potassium hydroxide In methanol; water at 80℃; for 24h; Stage #2: With hydrogenchloride In methanol; water
83% Stage #1: tetramethyl 1,1'-butadiynebenzene-3,3',5,5'-tetracarboxylate With lithium hydroxide In tetrahydrofuran; water at 20℃; for 15h; Stage #2: With hydrogenchloride In tetrahydrofuran; water
83% With potassium hydroxide In methanol; water at 80℃; for 24h;
  • 4
  • [ 432025-97-3 ]
  • 1,1'-butadiynebenzene-3,3',5,5'-tetracarboxylic acid [ No CAS ]
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