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Home > Encyclopedia > 4-(Acetyloxy)cyclohexanone

4-(Acetyloxy)cyclohexanone

4-(Acetyloxy)cyclohexanone structure

4-(Acetyloxy)cyclohexanone 

structure
  • CAS No:

    41043-88-3

  • Formula:

    C8H12O3

  • Chemical Name:

    4-(Acetyloxy)cyclohexanone

  • Synonyms:

    Cyclohexanone,4-(acetyloxy)-;Cyclohexanone,4-hydroxy-,acetate;4-(Acetyloxy)cyclohexanone;4-Acetoxycyclohexanone;4-Oxocyclohexyl acetate

4-(Acetyloxy)cyclohexanone Basic Attributes

156.18

156.18

DTXSID70340581

Characteristics

43.4

0.4

1.08±0.1 g/cm3(Predicted)

121-124 °C @ Press: 11 Torr

4-(Acetyloxy)cyclohexanone Use and Manufacturing

General procedure: 4-Hydroxy-cyclohexanone 1 (2.0 mmol) was dissolved in 3 mL of pyridine at 0 °C. The corresponding acid chloride 2 (1.5 equiv) was added drop-wise at this temperature over a period of 30 min. After stirring for 12 h at room temperature, the mixture was directly poured on a column of silica gel and purified by flash chromatography (hexane/ethyl acetate 1:1). The esters 3-16 were isolated as colorless oils in analytically pure form in the yields given in Table 1.General procedure: 4-Hydroxy-cyclohexanone 1 (2.0 mmol) was dissolved in 3 mL of pyridine at 0 °C. The corresponding acid chloride 2 (1.5 equiv) was added drop-wise at this temperature over a period of 30 min. After stirring for 12 h at room temperature, the mixture was directly poured on a column of silica gel and purified by flash chromatography (hexane/ethyl acetate 1:1). The esters 3-16 were isolated as colorless oils in analytically pure form in the yields given in Table 1.

Computed Properties

Molecular Weight:156.18
XLogP3:0.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:156.078644241
Monoisotopic Mass:156.078644241
Topological Polar Surface Area:43.4
Heavy Atom Count:11
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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