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Chemical Structure| 711-02-4 Chemical Structure| 711-02-4

Structure of 711-02-4

Chemical Structure| 711-02-4

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Product Details of [ 711-02-4 ]

CAS No. :711-02-4
Formula : C10H14O4
M.W : 198.22
SMILES Code : O=C(C1(CC2)CCC2(C(O)=O)CC1)O
MDL No. :MFCD00498000
InChI Key :KVOACUMJSXEJQT-UHFFFAOYSA-N
Pubchem ID :607709

Safety of [ 711-02-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 711-02-4 ]

* 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 [ 711-02-4 ]

[ 711-02-4 ] Synthesis Path-Downstream   1~4

  • 2
  • [ 711-02-4 ]
  • [ 826-45-9 ]
  • 3
  • [ 711-02-4 ]
  • [ 826-45-9 ]
  • [ 94994-15-7 ]
  • 4
  • [ 711-02-4 ]
  • [ 826-45-9 ]
  • 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carbaldehyde [ No CAS ]
YieldReaction ConditionsOperation in experiment
With ruthenium 1,1,1-tris(diphenylphosphinomethyl)ethane; hydrogen; toluene-4-sulfonic acid; In 1-methyl-pyrrolidin-2-one; at 210℃; under 104192 Torr; for 6.0h;Autoclave; At atmospheric conditions, 0.25g of the Ru-TRIPHOS catalyst ruthenium 1 ,1 ,1 -tris(diphenylphosphinomethyl)ethane, 20 mg of p-toluenesulfonic acid, 2g of bicyclo[2.2.2]octane-1 ,4-dicarboxylic acid and 40g of N-methy-2-pyrroidone were added to a 100 imL autoclave reactor. The reactor was then purged three times by pressurizing with nitrogen to 200 psig, then venting the pressure to atmospheric each time. The reactor was then purged three times by pressurizing with hydrogen to approximately 300 psig, then venting the pressure to atmospheric each time. Agitation at 800 rpm was then commenced, and hydrogen was then added to bring the pressure to 1600 psig. The temperature was then increased to 210 °C while allowing pressure to rise. After the temperature reaches 210 °C, the hydrogen pressure was increased to 2000 psig. These conditions (210 °C and 2000 psig) were held for 6 hours of reaction. After 6 hours of reaction, the agitation was stopped, and the heat turned off to let the autoclave start cooling. After cooling to room temperature, pressure was released and the contents were purged with nitrogen gas and vented. The solution was finally discharged from the autoclave and analyzed by GC-MS and 1 H NMR, showing bicyclo[2.2.2]octane-1 ,4-diyldimetanol as major product with small amount of 4-(hydroxymethyl)bicyclo[2.2.2]octane-1 -carbaldehyde. The conversion of bicyclo[2.2.2]octane-1 ,4-dicarboxylic acid is 100percent.
 

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