ACETIC ACID 4-OXO-CYCLOHEXYL ESTER Chemical Properties

Boiling point:

121-124 °C(Press: 11 Torr)

Density 

1.08±0.1 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

InChI

InChI=1S/C8H12O3/c1-6(9)11-8-4-2-7(10)3-5-8/h8H,2-5H2,1H3

InChIKey

YBMRTOLIRJUOPL-UHFFFAOYSA-N

SMILES

C1(=O)CCC(OC(C)=O)CC1

Safety Information

HS Code 

2918300090

ACETIC ACID 4-OXO-CYCLOHEXYL ESTER Usage And Synthesis

Synthesis

GENERAL METHOD: Dissolve 4-hydroxycyclohexanone (2.0 mmol) in 3 mL of pyridine at 0 °C. Maintaining this temperature, acetyl chloride (1.5 eq.) was slowly added dropwise over 30 min. After the dropwise addition, the reaction mixture was stirred at room temperature for 12 hours. Upon completion of the reaction, the mixture was directly upsampled onto a silica gel column and purified using fast chromatography (eluent: hexane/ethyl acetate, 1:1 v/v). Finally, 4-oxocyclohexyl acetate (3-16) was obtained in the yields listed in Table 1 as a colorless oil with the purity meeting the analytical requirements.

References

[1] Tetrahedron, 2012, vol. 68, # 10, p. 2363 - 2373

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