1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal) Chemical Properties

Melting point:

45-50 °C(lit.)

Boiling point:

70 °C(Press: 0.05 Torr)

Density 

1.08±0.1 g/cm3(Predicted)

Flash point:

>230 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

Acetone, Dichloromethane, Ethyl Acetate, Methanol,

form 

Solid

color 

White

BRN 

3541930

InChI

InChI=1S/C11H18O3/c1-10(2)7-13-11(14-8-10)5-3-9(12)4-6-11/h3-8H2,1-2H3

InChIKey

COKVDTKAWIFNTH-UHFFFAOYSA-N

SMILES

O1C2(CCC(=O)CC2)OCC(C)(C)C1

CAS DataBase Reference

69225-59-8(CAS DataBase Reference)

Safety Information

Risk Statements 

36/37/38-52/53

Safety Statements 

24/25-61

WGK Germany 

3

HS Code 

29329990

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal) Usage And Synthesis

Chemical Properties

White to yellowish powder

Uses

1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal)is a reagent used in the preparation of carbazole derivatives.

Synthesis Reference(s)

Synthetic Communications, 14, p. 39, 1984 DOI: 10.1080/00397918408060862

Synthesis

The general procedure for the synthesis of 3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-one using the compound (CAS: 69825-15-6) as starting material was as follows: first, 6.1 mg (0.02 mmol) of sodium 2-iodobenzenesulfonate, 0.49 g (0.8 mmol) of Oxone? (registered trademark) powder, 0.5 g (3.5 mmol) anhydrous sodium sulfate and 200 mg (1 mmol) 3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-ol were added to 5 mL of ethyl acetate. Subsequently, the reaction mixture was heated and stirred at 70°C for 8 hours under nitrogen protection. Upon completion of the reaction, post-processing was carried out according to the method of Example 1, resulting in the target product 3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-one. The yield of the compound was determined to be 91%, as shown in Table 2.

References

[1] Patent: EP2085373, 2009, A1. Location in patent: Page/Page column 12; 14-15
[2] Journal of Medicinal Chemistry, 1981, vol. 24, # 3, p. 341 - 346

1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal)(69225-59-8)Related Product Information

• 1,4-Cyclohexanedione
• n-Hendecane
• HEXANAL DIMETHYL ACETAL
• 5,5-DIMETHYL-1,3-DIOXANE
• 4-Methoxycyclohexanon
• 3-Acetyl-1-propanol
• 1,3-DIOXANE
• 1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal)
• (R)-5-HYDROXY-2-HEXANONE
• Cyclohexanone
• 1-Propanol, 3-methoxy-2,2-dimethyl-
• 3,3-DIMETHOXYHEXANE
• 1,1-DIMETHOXYCYCLOHEXANE
• 4-HYDROXYCYCLOHEXANONE
• 3,3-dimethyl-1,5-dioxaspiro[5.5]undecane