1,1,1,3,3,3-hexafluoroisopropyl chloromethyl ether
sevoflurane
Conditions | Yield |
---|---|
With diisopropylethylamine hydrofluoride for 16h; Heating; | 95% |
With potassium fluoride; potassium hydrogenfluoride; water; Aliquat HTA-1 at 100℃; for 3h; Product distribution / selectivity; | 90% |
With potassium fluoride; tetraethylammonium chloride In water at 100℃; for 3h; Product distribution / selectivity; | 86% |
1,1,1,3,3,3-hexafluoroisopropyl chloromethyl ether
A
1,1,1,3',3',3'-hexafluoro-propanol
B
sevoflurane
Conditions | Yield |
---|---|
With hydrogenchloride; potassium fluoride; water; Aliquat HTA-1 at 100℃; for 3h; Product distribution / selectivity; | A 1.05 %Chromat. B 93% |
With potassium fluoride; potassium hydrogenfluoride; water; Aliquat 175 at 100℃; for 3h; Product distribution / selectivity; | A 3.8 %Chromat. B 89% |
With potassium fluoride; potassium hydrogenfluoride; water; benzyl triethyl ammonium dichloride at 100℃; for 3h; Product distribution / selectivity; | A 4 %Chromat. B 88% |
Conditions | Yield |
---|---|
With triethylamine In acetonitrile at 60℃; for 8h; Product distribution / selectivity; Inert atmosphere; Sealed vesselaturated gas; | 91.43% |
With triethylamine; potassium hydroxide In acetonitrile at 60℃; for 8h; Product distribution / selectivity; Inert atmosphere; | 91.43% |
Conditions | Yield |
---|---|
boron trifluoride diethyl etherate for 5h; Product distribution / selectivity; Heating / reflux; | 84% |
aluminum(III) fluoride In chloroform for 5h; Product distribution / selectivity; Heating / reflux; | 72% |
With hydrogen fluoride at -30 - 67℃; under 2257.73 - 3862.89 Torr; Pressure; Temperature; |
1,1,1,3',3',3'-hexafluoro-propanol
sevoflurane
Conditions | Yield |
---|---|
With caesium carbonate In acetonitrile at 20℃; | 83% |
Conditions | Yield |
---|---|
With triethylamine In acetonitrile at 60℃; for 8h; Product distribution / selectivity; Inert atmosphere; Sealed vessel; | 81.8% |
With triethylamine; potassium hydroxide In acetonitrile at 60℃; for 8h; Product distribution / selectivity; Inert atmosphere; | 81.8% |
Conditions | Yield |
---|---|
With sodium carbonate In 1-methyl-pyrrolidin-2-one; water at 50℃; for 6h; Product distribution / selectivity; Sealed vessel; | 71.57% |
With 1-methyl-pyrrolidin-2-one; sodium carbonate In water at 50℃; for 6h; | 71.57% |
1,3,5-tri-O-benzoyl-2-deoxy-2-fluoro-α-D-arabinofuranose
sevoflurane
Conditions | Yield |
---|---|
With potassium fluoride In various solvent(s) at 95℃; for 1h; Substitution; | 71% |
bis {[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]methyl} ether
sevoflurane
Conditions | Yield |
---|---|
With hydrogen fluoride at -30 - 70℃; for 1.5h; | 53% |
methyl 3,3,3-trifluoro-2-trifluoromethyl-2-chloromethoxypropionate
sevoflurane
Conditions | Yield |
---|---|
With potassium fluoride In polyethyleneglycol at 90 - 95℃; for 5h; Product distribution / selectivity; Autoclave; | 51.7% |
1,3,5-Trioxan
1,1,1,3',3',3'-hexafluoro-propanol
A
formaldehyde methyl [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] acetal
B
formaldehyde fluoromethyl [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] acetal
C
bis {[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]methyl} ether
D
sevoflurane
Conditions | Yield |
---|---|
With hydrogen fluoride at 31 - 65℃; under 1275.13 - 2467.75 Torr; for 6h; Inert atmosphere; | A n/a B n/a C n/a D 23% E n/a |
1,3,5-Trioxan
1,1,1,3',3',3'-hexafluoro-propanol
A
formaldehyde fluoromethyl [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] acetal
B
bis {[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]methyl} ether
C
sevoflurane
Conditions | Yield |
---|---|
With hydrogen fluoride at 56 - 65℃; under 1275.13 - 2467.75 Torr; for 6h; Inert atmosphere; | A n/a B n/a C 23% D n/a |
bis(2-chloromethyl)ether
sevoflurane
Conditions | Yield |
---|---|
With BrF3 |
1,1,1,3,3,3-hexachloro-2-methoxy-propane
sevoflurane
Conditions | Yield |
---|---|
With sodium hydroxide In BrF3 |
methyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propionate
C6H5F7O3
Methyl 3,3,3-trifluoro-2-trifluoromethyl-2-methoxypropionate
A
potassium 3,3,3-trifluoro-2-trifluoromethyl-2-hydroxypropionate
B
MTTMP; potassium salt
C
sevoflurane
D
1,1,1,3,3,3-hexafluoro-2-methoxypropane
Conditions | Yield |
---|---|
With potassium hydroxide; water at 50℃; for 2h; | A 99 %Spectr. B 71 %Spectr. C 89 %Spectr. D 5 %Spectr. |
With water; potassium carbonate at 50℃; |
diethyl-2-(chloromethoxy)malonate
sevoflurane
Conditions | Yield |
---|---|
With sulfur tetrafluoride; hydrogen fluoride In Solkane365 mfc at 23 - 100℃; under 45004.5 Torr; Product distribution / selectivity; |
1,1,1,3,3,3-hexafluoro-2-bromomethoxy-propane
sevoflurane
Conditions | Yield |
---|---|
With potassium fluoride In sulfolane; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol at 85℃; for 6h; | |
With potassium fluoride In sulfolane; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol at 85℃; for 6h; Product distribution / selectivity; |
iodomethyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ether
sevoflurane
Conditions | Yield |
---|---|
With potassium fluoride In N,N-dimethyl-formamide; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol at 85℃; for 6h; | |
With potassium fluoride In N,N-dimethyl-formamide; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol at 85℃; for 6h; Product distribution / selectivity; |
Conditions | Yield |
---|---|
trifluorormethanesulfonic acid In dichloromethane at 25℃; for 15h; Product distribution / selectivity; Polyethylene container; | 58 %Chromat. |
at 20℃; for 1h; |
1,1,1,3,3-pentafluorobutane
diethyl-2-(chloromethoxy)malonate
sevoflurane
Conditions | Yield |
---|---|
With sulfur tetrafluoride; hydrogen fluoride at 23 - 100℃; under 45004.5 Torr; Autoclave; |
C4H5FO5
sevoflurane
Conditions | Yield |
---|---|
With sulfur tetrafluoride |
Conditions | Yield |
---|---|
Stage #1: formaldehyd; 1,1,1,3',3',3'-hexafluoro-propanol With hydrogen fluoride In dichloromethane Cooling with ice; Stage #2: With sulfuric acid at 20℃; for 1h; |
sevoflurane
1,1,1,3,3,3-hexafluoroisopropyl chloromethyl ether
Conditions | Yield |
---|---|
In water | 79% |
sevoflurane
fluoromethyl 2,2-difluoro-1-(trifluoromethyl)vinyl ether
Conditions | Yield |
---|---|
With methyllithium In formaldehyde diethyl acetal at -31 - -20℃; Product distribution / selectivity; Inert atmosphere; | 50% |
With lithium hexamethyldisilazane In tetrahydrofuran at -70℃; for 0.25h; Yield given; |
sevoflurane
sodium methylate
Fluoromethyl 2-methoxy-2,2-difluoro-1-(trifluoromethyl)ethyl ether
Conditions | Yield |
---|---|
In methanol 1.) 15-22 deg C, 45 min; 2.) RT 1 3/4 h; 3.) reflux, 2 h; | 4.9 g |
sevoflurane
sodium methylate
A
Fluoromethyl 2-methoxy-2,2-difluoro-1-(trifluoromethyl)ethyl ether
Conditions | Yield |
---|---|
at 35 - 40℃; for 0.5h; Yields of byproduct given; | A n/a B 0.375 g |
sevoflurane
Conditions | Yield |
---|---|
With potassium carbonate; lithium hexamethyldisilazane In tetrahydrofuran at -65 - 0℃; for 0.5h; Yield given; |
sevoflurane
A
Fluoromethyl 2-methoxy-2,2-difluoro-1-(trifluoromethyl)ethyl ether
B
fluoromethyl 2,2-difluoro-1-(trifluoromethyl)vinyl ether
Conditions | Yield |
---|---|
With soda lime at 120℃; for 0.666667h; Product distribution; Mechanism; further time and temperature; also with D2-sevoflurane; |
sevoflurane
Conditions | Yield |
---|---|
With hydrogenchloride; hydrogen fluoride; N-ethyl-N,N-diisopropylamine In 1,1,1,3,3,3-hexafluoroisopropyl chloromethyl ether; water |
1,1,1,3',3',3'-hexafluoro-propanol
sevoflurane
sevoflurane
Conditions | Yield |
---|---|
With aluminum oxide; Trimethylsilanol |
sevoflurane
A
formaldehyde fluoromethyl [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] acetal
B
1,1,1,3',3',3'-hexafluoro-propanol
sevoflurane
bis {[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]methyl} ether
The Sevoflurane with CAS registry number of 28523-86-6 is also known as Ether,fluoromethyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl (8CI). The IUPAC name is 1,1,1,3,3,3-Hexafluoro-2-(fluoromethoxy)propane. It belongs to product categories of Fluoro Series. In addition, the formula is C4H3F7O and the molecular weight is 200.05. This chemical is a colorless liquid and should be stored in refrigerated place away from oxidizing agents. It is used as inhalation anesthetic.
Physical properties about Sevoflurane are: (1)ACD/LogP: 2.48; (2)ACD/LogD (pH 5.5): 2.48; (3)ACD/LogD (pH 7.4): 2.48; (4)ACD/BCF (pH 5.5): 45.27; (5)ACD/BCF (pH 7.4): 45.27; (6)ACD/KOC (pH 5.5): 533.13; (7)ACD/KOC (pH 7.4): 533.13; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.266; (11)Molar Refractivity: 23.36 cm3; (12)Molar Volume: 139.5 cm3; (13)Surface Tension: 13 dyne/cm; (14)Density: 1.433 g/cm3; (15)Enthalpy of Vaporization: 28.08 kJ/mol; (16)Boiling Point: 49.5 °C at 760 mmHg; (17)Vapour Pressure: 311 mmHg at 25 °C.
Preparation of Sevoflurane: it is prepared by reaction of hexafluoroacetone with catalyst Pd-carbon. After hexafluoro isopropanol is obtained, add formaldehyde, hydrogen fluoride and sulfuric acid to the reaction product to generate product.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C(OC(C(F)(F)F)C(F)(F)F)F
2. InChI: InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2
3. InChIKey: DFEYYRMXOJXZRJ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LC50 | inhalation | 28300ppm/3H (28300ppm) | BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: CYANOSIS SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Kiso to Rinsho. Clinical Report. Vol. 21, Pg. 5497, 1987. |
mouse | LD50 | intraperitoneal | 10500mg/kg (10500mg/kg) | Drugs in Japan Vol. -, Pg. 591, 1990. | |
mouse | LD50 | oral | 18200mg/kg (18200mg/kg) | Drugs in Japan Vol. -, Pg. 591, 1990. | |
rat | LC50 | inhalation | 28800ppm/3H (28800ppm) | BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: CYANOSIS SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Kiso to Rinsho. Clinical Report. Vol. 21, Pg. 5497, 1987. |
rat | LD50 | intraperitoneal | 6300mg/kg (6300mg/kg) | Drugs in Japan Vol. -, Pg. 591, 1990. | |
rat | LD50 | oral | 10800mg/kg (10800mg/kg) | Drugs in Japan Vol. -, Pg. 591, 1990. |
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