(S)-1,1,1-TRIFLUORO-2-PROPANOL
- Product Name
- (S)-1,1,1-TRIFLUORO-2-PROPANOL
- CAS No.
- 3539-97-7
- Chemical Name
- (S)-1,1,1-TRIFLUORO-2-PROPANOL
- Synonyms
- (S)-1,1,1-Trifluoropropan-2-ol;(S)-Trifluoroisopropanol;(2S)-1,1,1-trifluoro-2-propanol;(2S)-1,1,1-Trifluoropropan-2-ol;2-Propanol, 1,1,1-trifluoro-, (2S)-;(2S)-2-Hydroxy-1,1,1-trifluoropropane;(S)-1,1,1-Trifluoroisopropanol - [T23247];(S)-1,1,1-TRIFLUORO-2-PROPANOL (2S)-1,1,1-
- CBNumber
- CB02448549
- Molecular Formula
- C3H5F3O
- Formula Weight
- 114.07
- MOL File
- 3539-97-7.mol
(S)-1,1,1-TRIFLUORO-2-PROPANOL Property
- Boiling point:
- 67.0±35.0℃ (760 Torr)
- Density
- 1.235±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point:
- 38.8±17.0℃
- storage temp.
- Store at room temperature
- pka
- 12.53±0.20(Predicted)
- form
- liquid
- color
- Clear
- InChI
- InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3/t2-/m0/s1
- InChIKey
- GILIYJDBJZWGBG-REOHCLBHSA-N
- SMILES
- C(F)(F)(F)[C@@H](O)C
Safety
- RIDADR
- UN1993
- HS Code
- 2905599890
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H226Flammable liquid and vapour
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280Wear protective gloves/protective clothing/eye protection/face protection.
N-Bromosuccinimide Price
- Product number
- T898550
- Product name
- (S)-1,1,1-Trifluoro-2-propanol
- Packaging
- 50mg
- Price
- $110
- Updated
- 2021/12/16
- Product number
- 2102-3-S1
- Product name
- (S)-1,1,1-Trifluoropropan-2-ol
- Purity
- 97%
- Packaging
- 100mg
- Price
- $125
- Updated
- 2021/12/16
- Product number
- 2102-3-S1
- Product name
- (S)-1,1,1-Trifluoropropan-2-ol
- Purity
- 97%
- Packaging
- 250mg
- Price
- $255
- Updated
- 2021/12/16
- Product number
- 2102-3-S1
- Product name
- (S)-1,1,1-Trifluoropropan-2-ol
- Purity
- 97%
- Packaging
- 1g
- Price
- $595
- Updated
- 2021/12/16
- Product number
- 2102-3-S1
- Product name
- (S)-1,1,1-Trifluoropropan-2-ol
- Purity
- 97%
- Packaging
- 5G
- Price
- $1495
- Updated
- 2021/12/16
(S)-1,1,1-TRIFLUORO-2-PROPANOL Chemical Properties,Usage,Production
Description
(S)-1,1,1-Trifluoro-2-propanol is a compound important as an intermediate for various medicines and agrichemicals. Aside from methods using chemical catalysts, biological methods of reducing 1,1,1-trifluoroacetone to (S)-1,1,1-trifluoro-2-propanol by having microbial enzymes act on 1,1,1-trifluoroacetone has hitherto been studied.
Uses
(S)-1,1,1-TRIFLUORO-2-PROPANOL can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development and chemical production processes.
Uses
(S)-1,1,1-Trifluoro-2-propanol can be used as ion channel modulators to treat neurological disorders.
Synthesis
A liquid medium was prepared to be composed of 2000 ml of an ion-exchanged water, 60 g of glucose, 30 g of peptone, 50 g of yeast extract, 4.8 g of potassium dihydrogenphosphate and 2.5 g of dipotassium hydrogen phosphate. The liquid medium was charged into a fermenter of 5 L capacity (available from B.E. MARUBISHI Co., Ltd. under the trade name of a MDN-type 5L(S)) and then subjected to steam sterilization at 121°C for 60 minutes. This liquid medium was inoculated with 80 ml of a suspension of Hansenula polymorpha NBRC0799, the suspension being obtained by conducting a preliminary culture on 100 ml of the same composition to be 2.0 × 109 cfu/ml. Then, it was cultured at 28°C, an air ventilation of 1 vvm and a stirring speed of 500 rpm for 24 hours, thereby preparing a suspension of 4.3 × 109 cfu/ml (or 86 g/L in terms of the weight of wet cell bodies). At this time, adjustment of pH was attained by using aqueous ammonia, so that a pH was adjusted at 6.5. After culture had terminated, the ventilation amount and the stirring speed were changed to 0.1 vvm and 50 rpm. A solution obtained by dissolving 125.2 g of 1,1,1-trifluoroacetone and 200 g of glucose in 300 ml of an ion-exchanged water prepared in another vessel was added to the suspension automatically by a computer program in the use of an online sugar concentration sensor (an online biosensor available from ABLE & Biott Co.,Ltd. under the trade name of BF-410), so as to maintain a glucose concentration of 2 %. It was confirmed that the yield obtained after a lapse of 168 hours was 94.9 % by monitoring the reduction of the substrate due to the microorganism every 24 hours, upon which the reaction was terminated.
In order to recall 1,1,1-trifluoro-2-propanol produced from the reaction solution after termination of the reaction, distillation was performed. A distillate was recalled in an amount of 188 ml, from which it was found, by internal standard method of 19F-NMR, that 109.2 g of 1,1,1-trifluoro-2-propanol was contained. As a result of measuring the optical purity under the above-discussed analyzing conditions, the optical purity was confirmed to be 98.7% ee (S-configuration).
(S)-1,1,1-TRIFLUORO-2-PROPANOL Preparation Products And Raw materials
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