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| CAS No.: | 637-88-7 |
|---|---|
| Name: | 1,4-Cyclohexanedione |
| Article Data: | 110 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H8O2 |
| Molecular Weight: | 112.128 |
| Synonyms: | 1,4-Dioxocyclohexane;Tetrahydroquinone;Cyclohexan-1,4-dione;1,4-Cyclohexane Dione;1,4-Cyclohexanedione(CAS:637-88-7); |
| EINECS: | 211-306-0 |
| Density: | 1.128 g/cm3 |
| Melting Point: | 77-78.5 °C(lit.) |
| Boiling Point: | 226.66 °C at 760 mmHg |
| Flash Point: | 82.157 °C |
| Appearance: | tan or yellow crystalline powder |
| Hazard Symbols: |
 Xi
|
| Safety: | 22-24/25 |
| PSA: | 34.14000 |
| LogP: | 0.69860 |
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| With aluminium trichloride; zinc In tetrahydrofuran for 0.4h; Ambient temperature; | 100% |
| With formic acid In toluene at 120℃; for 10h; Inert atmosphere; chemoselective reaction; | 57% |
| With hydrogen; tetra-(n-butyl)ammonium iodide In water at 110℃; under 15001.5 Torr; for 24h; chemoselective reaction; | 57% |
| With ruthenium; hydrogen at 80℃; under 37503.8 Torr; for 1h; Reagent/catalyst; Ionic liquid; chemoselective reaction; |
- 10553-38-5
1,4-cyclohexanedione bis(dimethyl acetal)
- 637-88-7
1,4-Cyclohexanedione
| Conditions | Yield |
|---|---|
| In 1,4-dioxane; water; dimethyl sulfoxide for 12h; Heating; | 98.2% |
| Conditions | Yield |
|---|---|
| With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In neat (no solvent) at 20℃; for 1h; Milling; | 97% |
| With ruthenium(IV) oxide; sodium dihydrogenphosphate; sodium chloride In water at 10 - 15℃; electrooxidation; | 94% |
| With m-iodosylbenzoic acid; ruthenium trichloride In water; acetonitrile at 20℃; for 10h; | 84% |
| Conditions | Yield |
|---|---|
| With barium(II) chloride In water at 19.85 - 179.85℃; under 7575.61 Torr; for 0.666667h; | 96% |
| With CuCl2*2H2O In acetonitrile for 0.5h; Ambient temperature; | 95% |
| With trifluoroacetic acid In dichloromethane at 25℃; for 12h; | 90% |
| Conditions | Yield |
|---|---|
| With sodium bromate; sodium hydrogensulfite In water; acetonitrile at 20℃; for 6h; Oxidation; | A 1% B 93% |
| With sodium bromate; sodium hydrogensulfite In water; acetonitrile at 20℃; for 2h; Oxidation; | A 78% B 10% |
| With 2O34W9Zn(12-)*W(6+)*3Zn(2+)*2H2O; dihydrogen peroxide In water; acetonitrile at 135℃; under 2250.23 Torr; for 0.25h; Microwave irradiation; | A n/a B 58% |
- 67-51-6
3,5-dimethyl-1H-pyrazole
A
- 4746-97-8
cyclohexanedione monoethylene ketal
B
- 637-88-7
1,4-Cyclohexanedione
| Conditions | Yield |
|---|---|
| In dichloromethane; ethyl acetate | A 91% B n/a |
- 26757-29-9
1,4-Cyclohexandion-bis-(dimethylhydrazon)
- 637-88-7
1,4-Cyclohexanedione
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; methyltrioxorhenium(VII) In acetic acid; acetonitrile at 0 - 20℃; Product distribution; oxidative cleavage; | 88% |
- 13482-22-9
4-hydroxycyclohexanone
- 637-88-7
1,4-Cyclohexanedione
| Conditions | Yield |
|---|---|
| With pyridinium chlorochromate In dichloromethane for 2h; Ambient temperature; | 87% |
- 87377-98-8, 87398-13-8, 190020-19-0
(Z,Z)-1,4-Cyclohexandion-bis
- 637-88-7
1,4-Cyclohexanedione
| Conditions | Yield |
|---|---|
| With hydrogenchloride In dichloromethane for 12h; Ambient temperature; | 87% |
| Conditions | Yield |
|---|---|
| With tetrachlorosilane In dichloromethane at 20℃; for 0.5h; | 85% |
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Chemistry
The Molecular Structure of 1,4-Cyclohexanedione (CAS NO.637-88-7):
Empirical Formula: C6H8O2
Molecular Weight: 112.1265
Nominal Mass: 112 Da
Average Mass: 112.1265 Da
Monoisotopic Mass: 112.052429 Da
Index of Refraction: 1.473
Molar Refractivity: 27.93 cm3
Molar Volume: 99.4 cm3
Surface Tension: 40.5 dyne/cm
Density: 1.127 g/cm3
Flash Point: 82.2 °C
Enthalpy of Vaporization: 46.32 kJ/mol
Boiling Point: 226.7 °C at 760 mmHg
Vapour Pressure: 0.0809 mmHg at 25°C
Melting Point: 76-80°C
IUPAC Name: cyclohexane-1,4-dione
Appearance: tan or yellow crystalline powder
Synonyms: 1,4-Cyclohexanedion;1,4-Dioxocyclohexane;Tetrahydroquinone;Tetrahydro-p-benzoquinone;1,4-Cyclohexandione;1,4-Tetrahydroquinone;Cyclohexane-1,4-dione;CHD
Product Categories: ketone;Pharmaceutical Intermediate;C3 to C6;Carbonyl Compounds;Ketones
History
1,4-Cyclohexanedione (CAS NO.637-88-7) is prepared in two steps from diesters of succinic acid. For example under basic conditions, the diethyl ester condenses to give 2,5-dicarbethoxy-1,4-cyclohexanedione. This intermediate can be hydrolysed and decarboxylated to afford the desired dione.
Uses
1,4-Cyclohexanedione (CAS NO.637-88-7) is used as a building block in the synthesis of more complex molecules.
Production
1,4-Cyclohexanedione (CAS NO.637-88-7) is prepared in two steps from diesters of succinic acid.Under basic conditions, the diethyl ester condenses to give 2,5-dicarbethoxy-1,4-cyclohexanedione. This intermediate can be hydrolysed and decarboxylated to afford the desired dione.
Safety Profile
Hazard Codes: 
Xi
Safety Statements: 22-24/25
S22:Do not breathe dust
S24/25:Avoid contact with skin and eyes
WGK Germany: 3
F: 8
Hazard Note: Irritant
HS Code: 29142900
Do not breathe the dust of 1,4-Cyclohexanedione (CAS NO.637-88-7). Avoid 1,4-Cyclohexanedione (CAS NO.637-88-7) contact with skin and with eyes.
Specification
1,4-Cyclohexanedione (CAS NO.637-88-7) is the organic compound. This colourless solid is one of the three isomeric cyclohexanediones. This particular diketone is used as a building block in the synthesis of more complex molecules.