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Published TCIMAIL newest issue No.197
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CAS RN: 76-05-1 | Product Number: T0431
Trifluoroacetic Acid
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Purity: >99.0%(T)
Synonyms:
- TFA
Product Documents:
| Size | Unit Price | Belgium | Japan* | Quantity |
|---|---|---|---|---|
| 25G |
£16.00
|
24 | ≥100 |
|
| 100G |
£28.00
|
34 | ≥100 |
|
| 500G |
£86.00
|
≥80 | ≥100 |
|
*Stock available in Belgium will be delivered in 1 to 3 days
*Stock available in Japan will be delivered in 1 to 2 weeks (excludes regulated items and dry ice shipments).
| Product Number | T0431 |
| Purity / Analysis Method | >99.0%(T) |
| Molecular Formula / Molecular Weight | C__2HF__3O__2 = 114.02 |
| Physical State (20 deg.C) | Liquid |
| Storage Temperature | Room Temperature (Recommended in a cool and dark place, <15°C) |
| Store Under Inert Gas | Store under inert gas |
| Condition to Avoid | Hygroscopic |
| CAS RN | 76-05-1 |
| Reaxys Registry Number | 742035 |
| PubChem Substance ID | 87576383 |
| SDBS (AIST Spectral DB) | 746 |
| Merck Index (14) | 9681 |
| MDL Number | MFCD00004169 |
Specifications
| Appearance | Colorless to Almost colorless clear liquid |
| Purity(Neutralization titration) | min. 99.0 % |
Properties (reference)
| Boiling Point | 73 °C |
| Specific Gravity (20/20) | 1.49 |
| Solubility in water | Completely miscible |
| Solubility (miscible with) | Ether, Benzene, Acetone |
GHS
| Pictogram |
|
| Signal Word | Danger |
| Hazard Statements | H301 : Toxic if swallowed. H332 : Harmful if inhaled. H314 : Causes severe skin burns and eye damage. H412 : Harmful to aquatic life with long lasting effects. H290 : May be corrosive to metals. |
| Precautionary Statements | P261 : Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray. P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection. P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water. P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth. P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor. P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor. |
Related Laws:
| EC Number | 200-929-3 |
| RTECS# | AJ9625000 |
Transport Information:
| UN Number | UN2699 |
| Class | 8 |
| Packing Group | I |
| HS Number | 2915907098 |
Application
TCI Practical Example: Electroreduction Using Hydrazine Monohydrate
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Used Chemicals
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Procedure
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Trifluoroacetic acid (0.355 mL, 4.64 mmol, 11.6 eq.) was added to a solution of 1-Phenylpropargyl alcohol (52.9 mg, 0.40 mmol) and hydrazine monohydrate (500 mg, 10.0 mmol, 25 eq.) in methanol (5 mL) at room temperature. An RVC electrode was immersed in the solution and constant current electrolysis was performed at a current of 40 mA until an electrical flow of 45 F/mol was completed. Water (20 mL) was added to the reaction mixture and the aqueous layer was extracted with diethyl ether (20 mL, twice). The combined organic layer was dried over sodium sulfate and filtered. The solvent was removed under reduced pressure to give 1-phenyl-1-propanol as a colorless liquid (57.2 mg, >99% yield).
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Experimenter’s Comments
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The reaction mixture was monitored by UPLC.
The experiment was conducted in a fume hood because gas is produced during the reaction.
The reaction was carried out for about 8 hours.
IKA ElectraSyn 2.0 was used as an electrolytic apparatus in this experiment.
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Analytical Data
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1-phenyl-1-propanol
1H NMR (400 MHz, CDCl3); δ 7.39–7.26 (m, 5H), 4.59 (t, J = 6.4 Hz, 1H), 2.07 (br s, 1H), 1.88–1.70 (m, 2H), 0.92 (t, J = 7.2 Hz, 3H).
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Lead Reference
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- eHydrogenation: Hydrogen-free Electrochemical Hydrogenation
Application
Deprotection of MOM Groups using Trifluoroacetic Acid
Reference
- Protection for the Hydroxyl Group, Including 1,2- and 1,3-Diols
- P. G. M. Wuts, in Greene’s Protective Groups in Organic Synthesis, 5th ed., ed. by P. G. M. Wuts, John Wiley & Sons, Inc., Hoboken, New Jersey, 2014, Chap. 2, 17.
Application
Pfitzner-Moffat Oxidation
Typical Procedure:
To a stirred solution of alcohol 1 (913 mg, 3.06 mmol) in benzene (85 mL) are added DMSO (1.31 mL, 18.4 mmol), pyridine (0.37 mL, 4.6 mmol), CF3COOH (0.35 mL, 4.6 mmol), and dicyclohexylcarbodiimide (1.89 g, 9.2 mmol). After being stirred for 30 min, the resulting white solids are filtered off. The filtrate is diluted with AcOEt (500 mL), and this is wshed with H2O (100 mL). The organic phase is dried over Na2SO4 and concentrated in vacuo. To the residue is added a small amount of AcOEt, and the precipitates are filtered off. The filtrate is concentrated in vacuo to give crude tetrahydrofuranone 2, which is reduced directly. The residue is dissolved in MeOH (20 mL), and NaBH4 (174 mg, 4.6 mmol) is added. After being stirred for 1 h, the mixture is neutralized with Amberlite IR-120 (H+). The resin is removed by filtration and washed with MeOH. The combined filtrate and washings are concentrated in vacuo. The residue is purified by flash column chromatography (SiO2, AcOEt : Toluene = 1 : 20) to give the epi alcohol 3 (758 mg, Y. 83%) as white crystals.
To a stirred solution of alcohol 1 (913 mg, 3.06 mmol) in benzene (85 mL) are added DMSO (1.31 mL, 18.4 mmol), pyridine (0.37 mL, 4.6 mmol), CF3COOH (0.35 mL, 4.6 mmol), and dicyclohexylcarbodiimide (1.89 g, 9.2 mmol). After being stirred for 30 min, the resulting white solids are filtered off. The filtrate is diluted with AcOEt (500 mL), and this is wshed with H2O (100 mL). The organic phase is dried over Na2SO4 and concentrated in vacuo. To the residue is added a small amount of AcOEt, and the precipitates are filtered off. The filtrate is concentrated in vacuo to give crude tetrahydrofuranone 2, which is reduced directly. The residue is dissolved in MeOH (20 mL), and NaBH4 (174 mg, 4.6 mmol) is added. After being stirred for 1 h, the mixture is neutralized with Amberlite IR-120 (H+). The resin is removed by filtration and washed with MeOH. The combined filtrate and washings are concentrated in vacuo. The residue is purified by flash column chromatography (SiO2, AcOEt : Toluene = 1 : 20) to give the epi alcohol 3 (758 mg, Y. 83%) as white crystals.
References
- Total syntheses of (+)-Altholactone [(+)-Goniothalenol] and three stereocongeners and their cytotoxicity against several tumor cell lines
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