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Cas Database |
| Name |
2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethyl methanesulfonate |
EINECS | 801-482-2 | |||
| CAS No. | 160969-03-9 | Density | 1.362 g/cm3 | |||
| PSA | 70.21000 | LogP | 3.06350 | |||
| Solubility | N/A | Melting Point |
52.0 to 56.0 °C |
|||
| Formula | C11H13F3O5S | Boiling Point | 396.401 °C at 760 mmHg | |||
| Molecular Weight | 314.282 | Flash Point | 193.537 °C | |||
| Transport Information | N/A | Appearance | colorless or light yellow liquid | |||
| Safety | Risk Codes |
 T:; |
|
Hazard Symbols |
 T, C
|
|
| Synonyms |
Ethanol,2-[2-(2,2,2-trifluoroethoxy)phenoxy]-, methanesulfonate (9CI); |
Article Data | 5 |
2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethyl methanesulfonate Synthetic route
- 124-63-0
methanesulfonyl chloride
- 160969-02-8
2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanol
- 160969-03-9
1-(2-methanesulfonyloxyethoxy)-2-(2,2,2-trifluoroethoxy)benzene
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0 - 20℃; for 4h; Reflux; | 92.5% |
| With triethylamine In dichloromethane at 0℃; for 0.25h; | |
| With triethylamine In dichloromethane; water | |
| With triethylamine In dichloromethane at 20℃; for 1h; Cooling with ice; |
- 4792-78-3
2-(2-hydroxy-phenoxy)-ethanol
- 160969-03-9
1-(2-methanesulfonyloxyethoxy)-2-(2,2,2-trifluoroethoxy)benzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 3.8 g / K2CO3 / dimethylformamide / 18 h / 100 °C 2: Et3N / CH2Cl2 / 0.25 h / 0 °C View Scheme |
- 120-80-9
benzene-1,2-diol
- 160969-03-9
1-(2-methanesulfonyloxyethoxy)-2-(2,2,2-trifluoroethoxy)benzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 25.8 g / n-BuN4Br / 3.5 h / 180 °C 2: 3.8 g / K2CO3 / dimethylformamide / 18 h / 100 °C 3: Et3N / CH2Cl2 / 0.25 h / 0 °C View Scheme |
- 105-36-2
ethyl bromoacetate
- 160968-99-0
2-O-(2,2,2-trifluoroethyl)catechol
A
- 160969-01-7
ethyl 2-(2,2,2-trifluoroethoxy)phenoxyacetate
B
- 160969-03-9
1-(2-methanesulfonyloxyethoxy)-2-(2,2,2-trifluoroethoxy)benzene
| Conditions | Yield |
|---|---|
| With potassium carbonate In ethyl acetate; N,N-dimethyl-formamide |
- 90-05-1
2-methoxy-phenol
- 160969-03-9
1-(2-methanesulfonyloxyethoxy)-2-(2,2,2-trifluoroethoxy)benzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: potassium carbonate / N,N-dimethyl-formamide / 12 h / 100 °C / Sealed vessel 2: ethanethiol; aluminum (III) chloride / dichloromethane / 4 h / 0 - 20 °C 3: potassium carbonate / acetonitrile / 66 h / 90 - 100 °C 4: triethylamine / dichloromethane / 1 h / 20 °C / Cooling with ice View Scheme |
- 120-80-9
benzene-1,2-diol
- 160969-03-9
1-(2-methanesulfonyloxyethoxy)-2-(2,2,2-trifluoroethoxy)benzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: potassium carbonate / N,N-dimethyl-formamide / 24 h / 110 °C / Sealed vessel 2: potassium carbonate / acetonitrile / 66 h / 90 - 100 °C 3: triethylamine / dichloromethane / 1 h / 20 °C / Cooling with ice View Scheme | |
| Multi-step reaction with 3 steps 1: potassium carbonate / acetonitrile / 24 h / 110 - 120 °C 2: potassium carbonate / N,N-dimethyl-formamide / 120 °C 3: triethylamine / dichloromethane / 1 h / 20 °C / Cooling with ice View Scheme |
- 106854-74-4
1-methoxy-2-(2,2,2-trifluoroethoxy)benzene
- 160969-03-9
1-(2-methanesulfonyloxyethoxy)-2-(2,2,2-trifluoroethoxy)benzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: ethanethiol; aluminum (III) chloride / dichloromethane / 4 h / 0 - 20 °C 2: potassium carbonate / acetonitrile / 66 h / 90 - 100 °C 3: triethylamine / dichloromethane / 1 h / 20 °C / Cooling with ice View Scheme |
- 160968-99-0
2-O-(2,2,2-trifluoroethyl)catechol
- 160969-03-9
1-(2-methanesulfonyloxyethoxy)-2-(2,2,2-trifluoroethoxy)benzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium carbonate / acetonitrile / 66 h / 90 - 100 °C 2: triethylamine / dichloromethane / 1 h / 20 °C / Cooling with ice View Scheme |
- 90-02-8
salicylaldehyde
- 160969-03-9
1-(2-methanesulfonyloxyethoxy)-2-(2,2,2-trifluoroethoxy)benzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: potassium carbonate / N,N-dimethyl acetamide / 7 h / 110 °C / Inert atmosphere 2: sodium hydroxide; dihydrogen peroxide / 2 h / 20 - 30 °C / Inert atmosphere 3: potassium carbonate / 1-methyl-pyrrolidin-2-one; N,N-dimethyl-formamide / 16 h / 160 °C / Inert atmosphere 4: triethylamine / dichloromethane / 4 h / 0 - 20 °C / Reflux View Scheme |
- 22042-72-4
2-(2-hydroxyethoxy)benzaldehyde
- 160969-03-9
1-(2-methanesulfonyloxyethoxy)-2-(2,2,2-trifluoroethoxy)benzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sodium hydroxide; dihydrogen peroxide / 2 h / 20 - 30 °C / Inert atmosphere 2: potassium carbonate / 1-methyl-pyrrolidin-2-one; N,N-dimethyl-formamide / 16 h / 160 °C / Inert atmosphere 3: triethylamine / dichloromethane / 4 h / 0 - 20 °C / Reflux View Scheme |
2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethyl methanesulfonate Specification
The 2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethyl methanesulfonate with the cas number 160969-03-9, is also called Ethanol,2-[2-(2,2,2-trifluoroethoxy)phenoxy]-, methanesulfonate (9CI). Its molecular formula is C11H13F3O5S. This chemical is a kind of organics,should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 25; (6)ACD/BCF (pH 7.4): 25; (7)ACD/KOC (pH 5.5): 346; (8)ACD/KOC (pH 7.4): 346; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 70.21Å2; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 64.306 cm3; (15)Molar Volume: 230.745 cm3; (16)Polarizability: 25.493×10-24cm3; (17)Surface Tension: 36.315 dyne/cm; (18)Enthalpy of Vaporization: 62.147 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)COc1ccccc1OCCOS(=O)(=O)C
(2)InChI: InChI=1/C11H13F3O5S/c1-20(15,16)19-7-6-17-9-4-2-3-5-10(9)18-8-11(12,13)14/h2-5H,6-8H2,1H3
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