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[ CAS No. 56868-12-3 ]

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2D
Chemical Structure| 56868-12-3
Chemical Structure| 56868-12-3
Structure of 56868-12-3 *Storage: {[proInfo.prStorage]}

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Product Details of [ 56868-12-3 ]

CAS No. :56868-12-3MDL No. :MFCD20257291
Formula : C14H16O3 Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :232.28Pubchem ID :12251390
Synonyms :

Computed Properties of [ 56868-12-3 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 56868-12-3 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 56868-12-3 ]

  • Downstream synthetic route of [ 56868-12-3 ]

[ 56868-12-3 ] Synthesis Path-Downstream   1~2

YieldReaction ConditionsOperation in experiment
42% 2. A solution of the residue [6] and 13 ml. of 2.5 N hydrochloric acid in 130 ml. of acetone is stirred at room temperature for about 20 hours, most of the solvent removed under vacuum and the residue dissolved in ether. The organic layer is washed with water and brine and evaporated to dryness. The residual gum is chromatographed on a column of 800 ml. of acid washed silica gel with elution by 4% acetic acid in methylene chloride. The crystalline fractions are combined and recrystallized twice from methylene chloride:cyclohexane to give 5.62 g. (42% yield) of 1-benzyl-4-cyclohexanone-1-carboxylic acid[7] having a melting point of 120 to 123 C. Anal. Calcd. for C14 H16 O2: C, 72.39; H, 6.94 Found: C, 72.24; H, 6.86
  • 2
  • [ 56868-12-3 ]
  • [ 56868-14-5 ]
YieldReaction ConditionsOperation in experiment
With hydrogen fluoride; EXAMPLE 12B Spiro(cyclohexane-1,2'-indan)-1',4-dione[8] To 100 ml. of freshly distilled hydrogen fluoride, (14.63 M) of <strong>[56868-12-3]1-benzyl-4-cyclohexanone-1-carboxylic acid</strong>[7] (prepared as in Example 8B) is added. The solution is allowed to stand at room temperature for about 18 hours and then poured cautiously into saturated aqueous sodium bicarbonate solution. The precipitated gum is extracted with benzene. The organic layer is washed successively with water, aqueous sodium bicarbonate solution and brine, and then evaporated to dryness. The residue is chromatographed on a column of 1,500 ml. of silica gel with elution by 20% acetone in Skellysolve B. There is first obtained a small amount of by-product followed by 10.5 g. (78%) of spiro(cyclohexane-1,2'-indan)-1',4-dione[8], having a melting point of 70.5 to 72 C. Anal. Calcd. for C14 H14 O2: C, 78.48; H, 6.59 Found: C, 78.43; H, 6.59.
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