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Chemical Structure| 91-04-3 Chemical Structure| 91-04-3

Structure of 91-04-3

Chemical Structure| 91-04-3

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Product Details of [ 91-04-3 ]

CAS No. :91-04-3
Formula : C9H12O3
M.W : 168.19
SMILES Code : CC1=CC(CO)=C(O)C(CO)=C1
MDL No. :MFCD00004619
InChI Key :KUMMBDBTERQYCG-UHFFFAOYSA-N
Pubchem ID :7039

Safety of [ 91-04-3 ]

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

Application In Synthesis of [ 91-04-3 ]

* 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 [ 91-04-3 ]

[ 91-04-3 ] Synthesis Path-Downstream   1~2

  • 2
  • [ 91-04-3 ]
  • [ 6192-52-5 ]
  • [ 6099-90-7 ]
  • 2,6-bis[(2,4,6-trihydroxyphenyl)methyl]-4-methylphenol [ No CAS ]
YieldReaction ConditionsOperation in experiment
In water; 2,6-Bis[2,4,6-trihydroxyphenyl)methyl]-4-methylphenol A 3 L three necked flask was fitted with a mechanical stirring apparatus, a Y arm, and a thermometer. To the flask was added 2,6-bis(hydroxymethyl)-p-cresol (recrystallized once from ethanol) (25.26 g, 0.15 mole), <strong>[6099-90-7]phloroglucinol dihydrate</strong> (364.8 g, 2.25 moles), p-toluene sulfonic acid monohydrate (6.0 g) and water (2400 mL). Stirring was begun and the mixture was heated to 60 degrees C. and maintained at about 60 degrees C. for four hours. The reaction mixture was filtered at the end of the heating period and allowed to cool. The solid was isolated by filtration and was extracted with warm (about 45 degrees C.) water (3*2200 mL). The solid material remaining after extraction was dried in vacuum to leave 13 g of solid. The titled compound's purity and identity were established by its liquid chromatogram, proton NMR and carbon-13 NMR spectra.
 

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