Conditions | Yield |
---|---|
With water at 0℃; | A 100% B n/a |
C8F14O6
A
difluoro((2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1.3-dioxolan-4-yl)oxy)acetic acid
B
trifluoroacetic acid
Conditions | Yield |
---|---|
With water at 0℃; | A 100% B n/a |
2,2,3,3-tetrafluoropropanol
4,5-benzo-1,3,2-dioxaphosphol-2-yl 2,2,2-trifluoroacetate
A
2-(2,2,3,3-tetrafluoropropoxy)-4,5-benzo-1,3,2-dioxaphospholane
B
trifluoroacetic acid
Conditions | Yield |
---|---|
A 98% B n/a |
1,1,1-trifluoro-2-iodoethane
trifluoroacetic anhydride
A
(2,2,2-trifluoroethyl)-λ3-iodanediyl bis(2,2,2-trifluoroacetate)
B
trifluoroacetic acid
Conditions | Yield |
---|---|
With dihydrogen peroxide at -15 - 20℃; for 72h; | A 98% B n/a |
Conditions | Yield |
---|---|
With ammonium peroxydisulfate; sodium formate In N,N-dimethyl-formamide at 25℃; for 10h; Product distribution; different redox systems and solvents; | 95% |
With ammonium peroxydisulfate; sodium formate In N,N-dimethyl-formamide at 25℃; for 10h; | 72.5% |
With steam; oxygen; chlorine Irradiation.UV-Licht; |
Conditions | Yield |
---|---|
With hydrogen fluoride | 95% |
Conditions | Yield |
---|---|
With potassium fluoride In water at 140℃; for 1h; | 95% |
perfluoro-1,3-dimethyl-4-ethyl-1H-isochromen-1-ol
A
5,6,7,8-tetrafluoro-1,3-bis(trifluoromethyl)-1H-isochromen-1-ol
B
trifluoroacetic acid
Conditions | Yield |
---|---|
Stage #1: perfluoro-1,3-dimethyl-4-ethyl-1H-isochromen-1-ol With sodium hydrogencarbonate In tetrachloromethane; water Stage #2: With hydrogenchloride In water | A 92% B n/a |
Conditions | Yield |
---|---|
With hydrogen fluoride | 91% |
With hydrogen fluoride | 80% |
With hydrogen fluoride | 77.5% |
With sodium hydroxide | |
With water at 5℃; Kinetics; Thermodynamic data; Rate constant; other temperatures, ΔH(excit.), ΔS(excit.); |
cesium trifluoroacetate
trifluoroacetic acid
Conditions | Yield |
---|---|
With hydrogenchloride for 1h; | 90% |
A
trifluoroacetic acid-methyl ester
B
cobalt trifluoroacetate
C
trifluoroacetic acid
Conditions | Yield |
---|---|
With methane In trifluoroacetic acid React. between CH4 and Co-compd. in CF3COOH soln. is carried out at 30 atm of initial CH4 and 180°C (3 h).; Identification of CF3COOMe by GLC anal. and PMR spectroscopy.; | A 90% B n/a C n/a |
Conditions | Yield |
---|---|
With H2O 8 d; | 88% |
With H2O 8 d; | 88% |
octafluoro-2-butanone
A
1,1,1,2,2-pentafluoroethane
B
trifluoroacetic acid
Conditions | Yield |
---|---|
With sodium hydroxide; sulfuric acid Product distribution; 1.) H2O, reflux, 30 min, 2.) reflux; | A 75% B 87% |
hydroxymethyl-phosphonic acid dimethyl ester
4,5-benzo-1,3,2-dioxaphosphol-2-yl 2,2,2-trifluoroacetate
B
trifluoroacetic acid
Conditions | Yield |
---|---|
temperature under 50 deg C; | A 87% B n/a |
1,1,1,5,5,5-hexafluoroacetylacetone
A
1,1,1-trifluoro-2-propanone
C
trifluoroacetic acid
Conditions | Yield |
---|---|
With ammonia at 80℃; for 3h; | A n/a B 85% C n/a |
(R)-1-(p-methoxyphenyl)ethyl trifluoroacetate
phenol
A
4-Methoxystyrene
B
rac-1-(4-methoxyphenyl)-ethanol
C
1-(4-methoxyphenyl)ethyl phenyl ether
D
trifluoroacetic acid
Conditions | Yield |
---|---|
With pyridine In benzene at 25℃; for 144h; | A 1.7% B 9.1% C 74.6% D 82.7% |
With pyridine In benzene at 25℃; Rate constant; |
6H-undecafluoro-hexan-2-one
A
1,1,2,2,3,3,4,4-octafluorobutane
B
trifluoroacetic acid
Conditions | Yield |
---|---|
With sodium hydroxide; sulfuric acid Product distribution; 1.) H2O, reflux, 30 min, 2.) reflux; | A 80% B 77% |
(R)-N5 -[amino(nitroimino)methyl]-N2 -[(tert.-butyloxy)carbonyl-N-[[3-[(1,2-dihydro-3,5(4H)-dioxo-1,2-diphenyl-3H-1,2,4-triazol-4-yl)methyl]phenyl]methyl]-ornithinamide
sodium carbonate
trifluoroacetic acid
Conditions | Yield |
---|---|
80% |
Conditions | Yield |
---|---|
With hydrogen fluoride | 80% |
1-Phenyl-4,4,4-trifluorobutane-1,3-dione
A
2-diazo-acetophenone
B
trifluoroacetic acid
Conditions | Yield |
---|---|
With 4-toluenesulfonyl azide; triethylamine In dichloromethane for 5h; | A 79% B n/a |
Conditions | Yield |
---|---|
With sodium hydroxide; sulfuric acid Product distribution; 1.) H2O, reflux, 30 min, 2.) reflux; | A 79% B 75% |
Conditions | Yield |
---|---|
Ambient temperature; | A 79% B n/a |
pyrrole
trifluoroacetic anhydride
A
2-(trifluoroacetyl)pyrrole
B
trifluoroacetic acid
Conditions | Yield |
---|---|
In dichloromethane at -15 - 20℃; for 2.5h; | A 77% B n/a |
phosphonic acid diethyl ester
trifluoroacetic anhydride
B
trifluoroacetic acid
Conditions | Yield |
---|---|
Ambient temperature; | A 76% B n/a |
trichlorfon
trifluoroacetic anhydride
A
C6H7Cl3F3O5P
B
trifluoroacetic acid
Conditions | Yield |
---|---|
In 1,2-dichloro-ethane at 40℃; for 2h; | A 72% B n/a |
Conditions | Yield |
---|---|
With ammonium peroxydisulfate; sodium formate In N,N-dimethyl-formamide at 50℃; for 4h; | 71.8% |
trifluoroacetic acid
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 18h; | 100% |
Conditions | Yield |
---|---|
for 4h; Reflux; | 100% |
at 70℃; for 16h; | 99% |
at 70℃; for 0.5h; Microwave irradiation; | 99.9% |
Conditions | Yield |
---|---|
for 24h; | 100% |
Conditions | Yield |
---|---|
for 24h; Product distribution; Heating; others alcohols; | 100% |
for 24h; Heating; | 100% |
With 4-hydroxyacetophenone oxime at 69.84℃; under 760.051 Torr; for 2h; Inert atmosphere; Sealed tube; | 100% |
Conditions | Yield |
---|---|
for 24h; Heating; | 100% |
With cobalt(II) chloride at 60℃; for 1h; | 95% |
With silica gel In dichloromethane for 4h; Ambient temperature; | 91% |
5-hydroxy-2,4-dimethyl-5-phenyl-1,2,4-triazin-3-thione
trifluoroacetic acid
Conditions | Yield |
---|---|
100% |
dimethylsulfide
4-(methylthio)benzyl alcohol
trifluoroacetic acid
dimethylsulfonium trifluoroacetate
Conditions | Yield |
---|---|
for 0.0833333h; | 100% |
(S)-methyl 2-((S)-2-((tert-butoxycarbonyl)amino)propanamido)propanoate
trifluoroacetic acid
alanylalanine methyl ester trifluoroacetate
Conditions | Yield |
---|---|
With triethylsilane In dichloromethane for 0.5h; | 100% |
With dichloromethane for 0.5h; | |
In dichloromethane at 25℃; for 2h; |
Nα tert-Butyloxycarbonyl-Nε-carbobenzyloxy-L-lysyl-glycine methyl ester
trifluoroacetic acid
TFA*H-Lys(Z)-Gly-OMe
Conditions | Yield |
---|---|
In acetic acid at 0 - 20℃; for 5h; | 100% |
With water |
N-(tert-butoxycarbonyl)-L-alanyl-L-alanine benzyl ester
trifluoroacetic acid
L-alanyl-L-alanine benzyl ester trifluoroacetate
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 2h; Inert atmosphere; | 100% |
In dichloromethane at 20℃; | 100% |
With methoxybenzene |
Conditions | Yield |
---|---|
With trifluoroacetic anhydride at 20℃; for 2h; | 100% |
Conditions | Yield |
---|---|
With trifluoroacetic anhydride at 20℃; for 2h; | 100% |
Conditions | Yield |
---|---|
at 0℃; for 0.5h; | 100% |
N-tert-butoxycarbonyl glycyl glycine methyl ester
trifluoroacetic acid
glycylglycine methyl ester trifluoroacetic acid salt
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 1.5h; | 100% |
In dichloromethane for 0.5h; Ambient temperature; | |
In dichloromethane at 20℃; for 1.25h; |
N-tert-butyloxycarbonylalanylphenylalanine methyl ester
trifluoroacetic acid
L-Ala-L-Phe-OMe trifluoroacetate
Conditions | Yield |
---|---|
In dichloromethane for 0.5h; Ambient temperature; | 100% |
With dichloromethane for 0.5h; | |
In dichloromethane at 20℃; for 1h; | |
In dichloromethane at 0 - 20℃; for 0.5h; Inert atmosphere; | |
In dichloromethane |
N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-4-{N-[2-(N-Boc-amino)ethanoyl]amino}butanamide
trifluoroacetic acid
4-(2-Amino-acetylamino)-N-methyl-N-(4-pyrrolidin-1-yl-but-2-ynyl)-butyramide; compound with trifluoro-acetic acid
Conditions | Yield |
---|---|
for 1h; | 100% |
(2-{3-[Methyl-(4-pyrrolidin-1-yl-but-2-ynyl)-carbamoyl]-propylcarbamoyl}-ethyl)-carbamic acid tert-butyl ester
trifluoroacetic acid
4-(3-Amino-propionylamino)-N-methyl-N-(4-pyrrolidin-1-yl-but-2-ynyl)-butyramide; compound with trifluoro-acetic acid
Conditions | Yield |
---|---|
for 1h; | 100% |
4,6-dimethyl-3-thio-methylene-1,2,4-triazine
trifluoroacetic acid
Conditions | Yield |
---|---|
100% |
2,4,6-trimethyl-5-methylene-1,2,4-triazin-3-thione
trifluoroacetic acid
Conditions | Yield |
---|---|
100% |
5-methoxy-5,6-dimethyl-4-phenyl-3-thio-1,2,4-triazine
trifluoroacetic acid
Conditions | Yield |
---|---|
100% |
N-tert-butoxycarbonyl (S)-isoleucine (S)-valine methyl ester
trifluoroacetic acid
Conditions | Yield |
---|---|
In dichloromethane; water at 20℃; for 1h; | 100% |
In dichloromethane at 20℃; for 1h; | 98% |
In dichloromethane at 0℃; for 2.5h; | 91% |
N-(3'-chloro-1',1'-dimethylprop-2'-ynyl)-2,4,6-trimethylaniline
trifluoroacetic acid
6-(1'-chloro-3'-methylbuta-1',2'-dienyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-iminium trifluoroacetate
Conditions | Yield |
---|---|
In chloroform-d1 at -30 - 20℃; for 4h; | 100% |
In chloroform-d1 at -30 - 20℃; for 4h; | 100% |
Boc-Lys(Z)-Pro-OH
trifluoroacetic acid
H-Lys(Z)-Pro-OH trifluoroacetate
Conditions | Yield |
---|---|
With acetic acid at 10 - 20℃; for 0.5h; | 100% |
In dichloromethane Ambient temperature; |
trifluoroacetic acid
Conditions | Yield |
---|---|
for 0.5h; | 100% |
Nα-(t-butoxycarbonyl)-O-(t-butyl)glutamyl-O-(di-t-butylphosphono)serylleucine t-butyl ester
trifluoroacetic acid
glutamylo-O-phosphoserylleucine trifluoroacetate
Conditions | Yield |
---|---|
In acetic acid at 20℃; for 1h; | 100% |
In acetic acid Yield given; |
tert-butyloxycarbonyl-glycylglycylglycine-benzylester
trifluoroacetic acid
Conditions | Yield |
---|---|
at 0℃; for 0.5h; | 100% |
N-<2-O-<2-acetamido-4,6-O-benzylidene-N-(tert-butoxycarbonyl)-1,2,3,5-tetradeoxy-1,5-imino-D-glucitol-3-yl>-D-lactoyl>-L-alanyl-D-isoglutamine
trifluoroacetic acid
N-<2-O-(2-acetamido-1,2,3,5-tetradeoxy-1,5-imino-D-glucitol-3-yl)-D-lactoyl>-L-alanyl-D-isoglutamine trifluoroacetate salt
Conditions | Yield |
---|---|
With water at 0℃; for 2.5h; | 100% |
Boc-Trp-Nle-Asp-Phe-NH2
trifluoroacetic acid
H-Trp-Nle-Asp-Phe-NH2 trifluoroacetate
Conditions | Yield |
---|---|
With methyl phosphite; methoxybenzene In dichloromethane for 1h; Ambient temperature; | 100% |
N-<2-O-<2-acetamido-N-(tert-butoxycarbonyl)-1,2,3,5-tetradeoxy-1,5-imino-6-O-octadecanoyl-D-glucitol-3-yl>-D-lactoyl>-L-alanyl-D-isoglutamine methyl ester
trifluoroacetic acid
N-<2-O-<2-acetamido-1,2,3,5-tetradeoxy-1,5-imino-6-O-octadecanoyl-D-glucitol-3-yl>-D-lactoyl>-L-alanyl-D-isoglutamine methyl ester trifluoroacetate salt
Conditions | Yield |
---|---|
With water at 0℃; | 100% |
(2S,3S,4E,6E,8S,9S)-3-(tert-butoxycarbonyl)amino-9-methoxy-2,6,8-trimethyl-10-phenyl-4,6-decadienoic acid
trifluoroacetic acid
(2S,3S,8S,9S,4E,6E)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldecadienoic acid trifluoroacetate
Conditions | Yield |
---|---|
In dichloromethane for 0.5h; Ambient temperature; | 100% |
In dichloromethane at 20℃; | 84% |
Related compounds: Acetic acid;Trichloroacetic acid;Perfluorononanoic acid
Trifluoroacetic acid(TFA) is the organofluorine compound with the formula CF3CO2H. With the CAS NO. 76-05-1, it is a colourless liquid with a sharp odor. It is a reagent used in organic synthesis because of a combination of convenient properties: volatility, solubility in organic solvents, and its strength as an acid. It should avoid the condition like incompatible materials, light, exposure to moist air or water, heat. Its hazardous decomposition products are carbon monoxide, carbon dioxide, hydrogen fluoride gas. Its hazardous polymerization has not been reported.
Physical properties about Trifluoroacetic acid are: (1)ACD/LogP: 1.347; (2)ACD/LogD (pH 5.5): -2.40; (3)ACD/LogD (pH 7.4): -2.40; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Index of Refraction: 1.294; (11)Molar Refractivity: 13.336 cm3; (12)Molar Volume: 72.566 cm3; (13)Polarizability: 5.287 10-24cm3; (14)Surface Tension: 21.9869995117188 dyne/cm; (15)Density: 1.571 g/cm3; (16)Flash Point: -2.506 °C; (17) Enthalpy of Vaporization: 34.619 kJ/mol; (18)Boiling Point: 72.245 °C at 760 mmHg; (19)Vapour Pressure: 96.1800003051758 mmHg at 25°C
Preparation of Trifluoroacetic acid: Trifluoroacetic acid is prepared industrially by the electrofluorination of acetyl chloride and acetic anhydride, followed by hydrolysis of the resulting trifluoroacetyl fluoride:
CH3COCl + 4 HF → CF3COF + 3 H2 + HCl
CF3COF + H2O → CF3COOH + HF
Uses of Trifluoroacetic acid: Trifluoroacetic acid is the precursor to trifluoroacetic anhydride and 2,2,2-trifluoroethanol. It is a reagent used in organic synthesis because of a combination of convenient properties: volatility, solubility in organic solvents, and its strength as an acid. Another use of it is in peptide synthesis, and related reactions where TFA is used as a strong acid to remove the t-butoxycarbonyl protecting group from boc-protected amines.
When you are using this chemical, please be cautious about it as the following:
1. Keep container in a well-ventilated place;
2. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
3. Take off immediately all contaminated clothing;
4. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer);
5. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
6. Avoid release to the environment. Refer to special instructions safety data sheet;
7. Wear suitable protective clothing, gloves and eye/face protection;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7);
(2)InChIKey=DTQVDTLACAAQTR-UHFFFAOYSA-N;
(3)SmilesC(C(=O)O)(F)(F)F;
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LC50 | inhalation | 13500mg/m3 (13500mg/m3) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(3), Pg. 13, 1966. |
mouse | LD50 | intravenous | 1200mg/kg (1200mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Annales Medicinae Experimentalis et Biologiae Fenniae. Vol. 46, Pg. 242, 1968. |
mouse | LDLo | intraperitoneal | 150mg/kg (150mg/kg) | Toxicology and Applied Pharmacology. Vol. 15, Pg. 83, 1969. | |
rat | LC50 | inhalation | 10gm/m3 (10000mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(3), Pg. 13, 1966. |
rat | LDLo | oral | 500mg/kg (500mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(3), Pg. 13, 1966. |
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