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Cas Database |
| Name |
4,4-Difluorocyclohexanone |
EINECS | N/A |
| CAS No. | 22515-18-0 | Density | 1.144 g/cm3 |
| PSA | 17.07000 | LogP | 1.76480 |
| Solubility | Insoluble in water. | Melting Point |
35-36 °C |
| Formula | C6H8F2O | Boiling Point | 157.441 °C at 760 mmHg |
| Molecular Weight | 134.126 | Flash Point | 55.64 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-37 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Cyclohexanone, 4,4-difluoro-; |
Article Data | 13 |
4,4-Difluorocyclohexanone Synthetic route
- 176251-49-3
8,8-difluoro-1,4-dioxaspiro[4,5]decane
- 22515-18-0
4,4-difluorocyclohexanone
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water at 100℃; for 12h; | 93% |
| With hydrogenchloride In acetone for 1h; Inert atmosphere; | 80% |
| With hydrogenchloride In water at 100℃; for 3h; | 71% |
- 22515-16-8
4,4-difluoroheptanedioic acid diethyl ester
- 22515-18-0
4,4-difluorocyclohexanone
| Conditions | Yield |
|---|---|
| (i) NaOEt, EtOH, (ii) aq. KOH; Multistep reaction; |
- 6317-49-3
4-oxopimelate
- 22515-18-0
4,4-difluorocyclohexanone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: SF4 / CH2Cl2; H2O 2: (i) NaOEt, EtOH, (ii) aq. KOH View Scheme |
- 539-47-9
3-(fur-2-yl)crotonic acid
- 22515-18-0
4,4-difluorocyclohexanone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: HCl / Heating 2: SF4 / CH2Cl2; H2O 3: (i) NaOEt, EtOH, (ii) aq. KOH View Scheme |
- 4746-97-8
cyclohexanedione monoethylene ketal
- 22515-18-0
4,4-difluorocyclohexanone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: difluoro-4-morpholinylsulfonium tetrafluoroborate; triethylamine tris(hydrogen fluoride) / dichloromethane / 24 h / 20 °C / Inert atmosphere 2: hydrogenchloride / acetone / 1 h / Inert atmosphere View Scheme | |
| Multi-step reaction with 2 steps 1.1: morpholinosulfur trifluoride / dichloromethane / 72 h / 0 - 20 °C / Inert atmosphere 1.2: 24 h 2.1: hydrogenchloride / water / 3 h / 100 °C View Scheme | |
| Multi-step reaction with 2 steps 1: (bis-(2-methoxyethyl)amino)sulfur trufluoride; ethanol / dichloromethane / 2 h / 20 °C / Inert atmosphere 2: toluene-4-sulfonic acid / water; acetone / 24 h / Reflux View Scheme | |
| Stage #1: cyclohexanedione monoethylene ketal With ethanol; (bis-(2-methoxyethyl)amino)sulfur trufluoride In dichloromethane at 20℃; for 2h; Inert atmosphere; Stage #2: With toluene-4-sulfonic acid In water; acetone for 24h; Reflux; | |
| Multi-step reaction with 2 steps 1.1: diethylamino-sulfur trifluoride / dichloromethane / 4 h / 0 - 35 °C 1.2: 20 °C 2.1: water; hydrogenchloride / 12 h / 100 °C View Scheme |
- 7677-24-9
trimethylsilyl cyanide
- 22515-18-0
4,4-difluorocyclohexanone
- 1394347-52-4
4,4-difluoro-1-[(trimethylsilyl)oxy]cyclohexane carbonitrile
| Conditions | Yield |
|---|---|
| With copper(II) bis(trifluoromethanesulfonate) In dichloromethane at 20℃; | 100% |
| With zinc(II) iodide In dichloromethane at 0 - 20℃; for 1h; | |
| With zinc(II) iodide In dichloromethane at 0 - 20℃; for 1h; | 1.5 g |
- 22515-18-0
4,4-difluorocyclohexanone
- 21204-67-1
methyl (triphenylphosphoranylidene)acetate
- 1189770-25-9
methyl 2-(4,4-difluorocyclohexylidene)acetate
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 65℃; for 20h; Schlenk technique; Inert atmosphere; | 100% |
- 22515-18-0
4,4-difluorocyclohexanone
- 22419-35-8
4,4-difluorocyclohexanol
| Conditions | Yield |
|---|---|
| With methanol; sodium tetrahydroborate at 0 - 25℃; for 2h; | 99% |
| With methanol; sodium tetrahydroborate at 20℃; for 1h; | 94% |
| With methanol; sodium tetrahydroborate for 1h; Inert atmosphere; Cooling with ice; | 91% |
- 22515-18-0
4,4-difluorocyclohexanone
- 1099-45-2
ethyl (triphenylphosphoranylidene)acetate
- 1283719-20-9
ethyl 2-(4,4-difluorocyclohexylidene)-acetate
| Conditions | Yield |
|---|---|
| In toluene at 100℃; for 16h; | 99% |
| In tetrahydrofuran at 65℃; Inert atmosphere; | 97% |
- 870-46-2
t-butoxycarbonylhydrazine
- 22515-18-0
4,4-difluorocyclohexanone
- 1214910-72-1
N'-(4,4-difluorocyclohexyl)hydrazinecarboxylic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| With hydrogen; acetic acid; platinum(IV) oxide In isopropyl alcohol at 20℃; under 2585.81 Torr; for 12h; | 98% |
| With hydrogen; acetic anhydride; platinum(IV) oxide In isopropyl alcohol at 20℃; under 2585.81 Torr; for 12h; | 98% |
| With hydrogen; platinum(IV) oxide; acetic acid In isopropyl alcohol at 20℃; under 2585.81 Torr; for 12h; | 98% |
4,4-Difluorocyclohexanone Specification
The 4,4-Difluorocyclohexanone with the cas number 22515-18-0, is also called Cyclohexanone, 4,4-difluoro- .The properties of the 4,4-Difluorocyclohexanone are: (1)#H bond acceptors: 1 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 0 ; (4)Polar Surface Area: 17.07Å2 ; (5)Index of Refraction: 1.396 ; (6)Molar Refractivity: 28.141 cm3 ; (7)Molar Volume: 117.211 cm3 ; (8)Polarizability: 11.156×10-24cm3 ; (9)Surface Tension: 24.37 dyne/cm ; (10)Enthalpy of Vaporization: 39.412 kJ/mol ; (11)Vapour Pressure: 2.754 mmHg at 25°C.
This product can be supplied by the following suppliers:(1)Shanghai Sinofluoro Scientific Co., Ltd. ; (2)3B Pharmachem International (Wuhan) Co.,Ltd. ; (3)Alfa Aesar ; (4)Energy Chemical; (5)Beijing ALFCHEM Science Co.,Ltd. ; (6)Matrix Scientific; (7)ALFA AESAR, AVOCADO, LANCASTER ; (8)Manchester Organics.
You can still convert the following datas into molecular structure :
1.O=C1CCC(F)(F)CC1
2.InChI=1/C6H8F2O/c7-6(8)3-1-5(9)2-4-6/h1-4H2
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