3,3,3-Trifluoropropionic acid supplier

Name
3,3,3-Trifluoropropionic acid
EINECS 629-437-0
CAS No. 2516-99-6
Article Data27
CAS DataBase
Density 1.437 g/cm³
Solubility
Melting Point 9.7 °C(lit.)
Formula C₃H₃F₃O₂
Boiling Point 128 °C at 760 mmHg
Molecular Weight 128.051
Flash Point 31.2 °C
Transport Information UN 3265 8/PG 2
Appearance Clear colorless liquid
Safety 26-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols C
Synonyms Propionicacid, 3,3,3-trifluoro- (7CI,8CI);3,3,3-Trifluoropropanoic acid;b,b,b-Trifluoropropionic acid;
PSA 37.30000
LogP 1.02340

Synthetic route

: 460-40-2
3,3,3-trifluoropropanal

: 2516-99-6
3,3,3-Trifluoropropionic acid

Conditions

Conditions	Yield
With tetrabutoxytitanium; sodium molybdate; dihydrogen peroxide; calcium chloride In ethanol; water at 75 - 90℃; for 6h; Time; Inert atmosphere;	96.1%
With nitric acid; sodium nitrite In water at 0 - 20℃; for 4h;	61%
With sulfuric acid; sodium nitrite In water at 0 - 20℃; for 3h;	61%

: 85345-75-1
3,3,3-trifluoropropionyl fluoride

: 2516-99-6
3,3,3-Trifluoropropionic acid

Conditions

Conditions	Yield
With water at 5 - 20℃; for 0.5h;	93.4%
With water; sodium hydroxide at 5 - 20℃; for 0.5h;	90.2%

: 18830-44-9
methyl 3,3,3-trifluoropropionate

: 2516-99-6
3,3,3-Trifluoropropionic acid

Conditions

Conditions	Yield
With water; sodium hydroxide at 5 - 30℃; for 0.5h;	88%
With hydrogen bromide	80%

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 431-54-9
3,3,3-trifluoro-2-chloropropionyl chloride

A: 2516-99-6
3,3,3-Trifluoropropionic acid

B: 110230-36-9
2-chloro-3,3,3-trifluoropropanoic acid

Conditions

Conditions	Yield
With water at 50℃; for 4h; Product distribution / selectivity;	A 84.5% B n/a

...Expand

: 460-40-2
3,3,3-trifluoropropanal

A: 2516-99-6
3,3,3-Trifluoropropionic acid

B: 936107-87-8
3,3,3-trifluoro-1-(3,3,3-trifluoro-1-hydroxypropoxy)propan-1-ol

C: 936107-88-9
C9H9F9O3

Conditions

Conditions	Yield
With water at -10 - 25℃; for 0.166667 - 168h; Product distribution / selectivity;	A 0.06% B 70.9% C 0.2%

...Expand

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

: 2516-99-6
3,3,3-Trifluoropropionic acid

Conditions

Conditions	Yield
With water at 50℃; for 5h; Product distribution / selectivity;	70.5%

: 460-40-2
3,3,3-trifluoropropanal

A: 41463-83-6
3,3,3-trifluoropropanoyl chloride

B: 2516-99-6
3,3,3-Trifluoropropionic acid

C: 431-54-9
3,3,3-trifluoro-2-chloropropionyl chloride

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); chlorine In 2,4-dichloro-benzotrifluoride at 50℃; for 2.5h; Product distribution / selectivity;	A 62.5% B n/a C n/a

...Expand

: 352-23-8
ethyl 3,3,3-trifluoropropanoate

: 2516-99-6
3,3,3-Trifluoropropionic acid

Conditions

Conditions	Yield
With sulfuric acid; water at 90℃; for 20h;	61%

: 122372-40-1
2-(2,2,2-trifluoroethylidene)-1,3-dithiane

: 2516-99-6
3,3,3-Trifluoropropionic acid

Conditions

Conditions	Yield
With sulfuric acid; mercury(II) oxide In tetrahydrofuran for 26h; Heating;	60%

: 460-92-4
1-chloro-1,1,3,3,3-pentafluoropropane

: 64712-27-2
1,1-dichloro-1,3,3,3-tetrafluoropropane

: 2516-99-6
3,3,3-Trifluoropropionic acid

Conditions

Conditions	Yield
Stage #1: 1-chloro-1,1,3,3,3-pentafluoropropane; 1,1-dichloro-1,3,3,3-tetrafluoropropane With sulfuric acid; sulfur trioxide at 100 - 125℃; for 19 - 30h; Stage #2: With water at 20℃; Product distribution / selectivity;	22%

: 2240-88-2
3,3,3-Trifluoropropanol

: 2516-99-6
3,3,3-Trifluoropropionic acid

Conditions

Conditions	Yield
With sodium dichromate; sulfuric acid

: 3,3,3-Trifluorpropionylschwefelsaeure

: 2516-99-6
3,3,3-Trifluoropropionic acid

Conditions

Conditions	Yield
With water

: 10472-02-3
trifluoromethyl-malonic acid dinitrile

: 2516-99-6
3,3,3-Trifluoropropionic acid

Conditions

Conditions	Yield
With hydrogenchloride

: 354-48-3
1,1,1-tribromotrifluoroethane

: 124-38-9
carbon dioxide

A: 2516-99-6
3,3,3-Trifluoropropionic acid

B: 2-bromo-3,3,3-trifluoropropanoic acid

Conditions

Conditions	Yield
With water; hydrogen cation; zinc In N,N-dimethyl-formamide for 6h; irradiated by ultrasound;	A 0.1 % Spectr. B 1.0 % Spectr.

...Expand

: 382-21-8
perfluoroisobutylene

A: 2516-99-6
3,3,3-Trifluoropropionic acid

B: 564-10-3
3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid

C: 1-(trifluoromethylthio)-perfluoro-2-(trifluoromethyl)-propene

D: 1-(trifluoromethylthio)-2H, 2-(trifluoromethylthiodifluoromethyl)-perfluoropropene

Conditions

Conditions	Yield
With moisture; Copper(I) trifluoromethanethiolate In acetonitrile 1.) -78 deg C, 2 h, 2.) from 55 deg C to 60 deg C, 4 h; Further byproducts given. Title compound not separated from byproducts;

...Expand

: 382-21-8
perfluoroisobutylene

A: 2516-99-6
3,3,3-Trifluoropropionic acid

B: 39902-62-0
2,2,3,3-tetra(trifluoromethyl)-perfluorobutane

C: 1-(trifluoromethylthio)-perfluoro-2-(trifluoromethyl)-propene

D: 1-(trifluoromethylthio)-2H, 2-(trifluoromethylthiodifluoromethyl)-perfluoropropene

Conditions

Conditions	Yield
With moisture; Copper(I) trifluoromethanethiolate In acetonitrile 1.) -78 deg C, 2 h, 2.) from 55 deg C to 60 deg C, 4 h; Further byproducts given. Title compound not separated from byproducts;

...Expand

: 134736-46-2
trifluoromethylketene

: 2516-99-6
3,3,3-Trifluoropropionic acid

Conditions

Conditions	Yield
With water Rate constant;

: cyclohexyl trifluoropropionate

: 2516-99-6
3,3,3-Trifluoropropionic acid

Conditions

Conditions	Yield
With trimethylsilyl iodide In chloroform at 65℃; for 9h;	1.7 g

: 2314-97-8
iodotrifluoromethane

: 74786-02-0
1-(tert-butyldimethylsilyloxy)-1-tert-butoxyethylene

: 2516-99-6
3,3,3-Trifluoropropionic acid

Conditions

Conditions	Yield
With triethyl borane; oxonium 1.) hexane, RT, 2h, 2.) RT, 15 h; Yield given. Multistep reaction;

: 661-54-1
3,3,3-trifluoroprop-1-yne

: 7664-93-9
sulfuric acid

: mercury(II) sulfate

A: 75-46-7
trifluoromethan

B: 421-50-1
1,1,1-trifluoro-2-propanone

C: 2516-99-6
3,3,3-Trifluoropropionic acid

D: 15719-64-9, 15719-76-3, 97762-63-5
methylammonium carbonate

Conditions

Conditions	Yield
at 135℃;

...Expand

: 433-26-1
1,1,1-trifluoro-3-diazo-2-oxopropane

: 2516-99-6
3,3,3-Trifluoropropionic acid

Conditions

Conditions	Yield
In diethyl ether for 0.25h; Photolysis;

: 116586-94-8
3,3,3-trifluoropropanal dimethyl acetal

A: 2516-99-6
3,3,3-Trifluoropropionic acid

B: 18830-44-9
methyl 3,3,3-trifluoropropionate

Conditions

Conditions	Yield
With hydrogenchloride; dihydrogen peroxide; iron(III) chloride at 80℃; for 1h;	A 95 % Chromat. B 3 % Chromat.

: 116586-94-8
3,3,3-trifluoropropanal dimethyl acetal

A: 460-40-2
3,3,3-trifluoropropanal

B: 2516-99-6
3,3,3-Trifluoropropionic acid

C: 18830-44-9
methyl 3,3,3-trifluoropropionate

Conditions

Conditions	Yield
With copper(I) oxide; hydrogenchloride; dihydrogen peroxide at 80℃;	A 2 % Chromat. B 91 % Chromat. C 7 % Chromat.
With hydrogenchloride; dihydrogen peroxide; tungsten(VI) chloride at 80℃;	A 44 % Chromat. B 9 % Chromat. C 4 % Chromat.
With hydrogenchloride; dihydrogen peroxide at 80℃;	A 22 % Chromat. B 12 % Chromat. C 31 % Chromat.

...Expand

: 460-40-2
3,3,3-trifluoropropanal

A: 41463-83-6
3,3,3-trifluoropropanoyl chloride

B: 2516-99-6
3,3,3-Trifluoropropionic acid

C: 19256-25-8
3,3,3-trifluoro-2-chloropropionaldehyde

D: 431-54-9
3,3,3-trifluoro-2-chloropropionyl chloride

E: 82107-24-2
2,2-dichloro-3,3,3-trifluoro-propionaldehyde

Conditions

Conditions	Yield
With chlorine at 50℃; for 4h; Product distribution / selectivity;
With sulfuryl dichloride; dibenzoyl peroxide In water at 50℃; for 2.08333h; Product distribution / selectivity;
With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile) In 2,4-dichloro-benzotrifluoride at 50℃; for 2.08333h; Product distribution / selectivity;

...Expand

: 460-40-2
3,3,3-trifluoropropanal

A: 41463-83-6
3,3,3-trifluoropropanoyl chloride

B: 2516-99-6
3,3,3-Trifluoropropionic acid

C: 19256-25-8
3,3,3-trifluoro-2-chloropropionaldehyde

D: 431-54-9
3,3,3-trifluoro-2-chloropropionyl chloride

Conditions

Conditions	Yield
With sulfuryl dichloride; dibenzoyl peroxide In 2,4-dichloro-benzotrifluoride; water at 50℃; for 2.08333h; Product distribution / selectivity;
With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile) In 2,4-dichloro-benzotrifluoride at 50 - 65℃; for 2h; Product distribution / selectivity;
With trichloroisocyanuric acid In acetonitrile at 50℃; for 4.08333h; Product distribution / selectivity;

...Expand

: 460-40-2
3,3,3-trifluoropropanal

A: 41463-83-6
3,3,3-trifluoropropanoyl chloride

B: 2516-99-6
3,3,3-Trifluoropropionic acid

C: 19256-25-8
3,3,3-trifluoro-2-chloropropionaldehyde

D: 82107-24-2
2,2-dichloro-3,3,3-trifluoro-propionaldehyde

Conditions

Conditions	Yield
With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile) In acetonitrile at 50℃; for 4.08333h; Product distribution / selectivity;

...Expand

: 460-40-2
3,3,3-trifluoropropanal

A: 41463-83-6
3,3,3-trifluoropropanoyl chloride

B: 2516-99-6
3,3,3-Trifluoropropionic acid

C: 19256-25-8
3,3,3-trifluoro-2-chloropropionaldehyde

Conditions

Conditions	Yield
With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile) In toluene at 50℃; for 2.08333h; Product distribution / selectivity;

...Expand

: 460-40-2
3,3,3-trifluoropropanal

A: 64-18-6
formic acid

B: 353-50-4
Carbonyl fluoride

C: 75-89-8
2,2,2-trifluoroethanol

D: 75-90-1
2,2,2-Trifluoroacetaldehyde

E: 2516-99-6
3,3,3-Trifluoropropionic acid

Conditions

Conditions	Yield
Quantum yield; Mechanism; Pressure; Photolysis; UV-irradiation; Air;

...Expand

: 1402718-98-2
S-(3,3,3-trifluoropropionyl)-N-acetylcysteamine

A: 1190-73-4
2-(acetylamino)ethanethiol

B: 2516-99-6
3,3,3-Trifluoropropionic acid

Conditions

Conditions	Yield
With erythromycin thioesterase In dimethylsulfoxide-d6 pH=7.5; Kinetics; aq. buffer; Enzymatic reaction;

: 2516-99-6
3,3,3-Trifluoropropionic acid

: (2R)-2-amino-N-(4-(tert-butyl)-3-chlorophenyl)-2-(tetrahydro-2H-pyran-4-yl)acetamide hydrochloride

: N-((1R)-2-((4-tert-butyl-3-chlorophenyl)amino)-2-oxo-1-(tetrahydro-2H-pyran-4-yl)ethyl)-3,3,3-trifluoropropanamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 10 - 35℃;	100%

: 2516-99-6
3,3,3-Trifluoropropionic acid

: (2R)-2-amino-N-(4-(tert-butyl)-3-chlorophenyl)-2-(tetrahydro-2H-pyran-4-yl)acetamide hydrochloride

: N-((1R)-2-((4-tert-butyl-3-chlorophenyl)amino)-2-oxo-1-(tetrahydro-2H-pyran-4-yl)ethyl)-3,3,3-trifluoro-2-hydroxypropanamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 10 - 35℃;	100%

: 110-91-8
morpholine

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 3,3,3-trifluoropropanoic acid morpholide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In tetrahydrofuran; N,N-dimethyl-formamide at 65℃; for 24h;	100%

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 41463-83-6
3,3,3-trifluoropropanoyl chloride

Conditions

Conditions	Yield
With phosphorus pentachloride at 65℃; Cooling with ice;	99%
With thionyl chloride; N,N-dimethyl-formamide at 70℃; for 4h;	72%
With Phthaloyl dichloride for 3h; Heating;	69%

: 2516-99-6
3,3,3-Trifluoropropionic acid

: C15H17N3

: 7732-18-5
water

: 72247-98-4
silver(I) 4-chlorobenzoate

: cobalt(II) bromide

: C22H20ClCoN3O2(1+)*H2O*C3H3F3O2*C7H4ClO2(1-)

Conditions

Conditions	Yield
at 100℃; for 24h; Sealed tube;	98%

...Expand

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 100-51-6
benzyl alcohol

: 78686-91-6
benzyl 3,3,3-trifluoropropanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide	97%
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 6h; Inert atmosphere;	96%
Stage #1: 3,3,3-Trifluoropropionic acid With oxalyl dichloride at 20 - 50℃; Stage #2: benzyl alcohol for 10h;	94%
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 2h;	93%

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 603-36-1
triphenylantimony

: μ2-oxobis(3,3,3-trifluoropropanatotriphenylantimony)

Conditions

Conditions	Yield
With tert.-butylhydroperoxide In diethyl ether at 20℃; for 24h;	96%

: 661485-12-7
methyl 4'-{[(3-aminopyridin-2-yl)amino]methyl}-biphenyl-2-carboxylate

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 4'-{[3-(3,3,3-trifluoro-propionylamino)-pyridin-2-ylamino]-methyl}-biphenyl-2-carboxylic acid methyl ester

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride	95%

: 851901-72-9
4'-[(3-amino-4-methyl-pyridin-2-ylamino)-methyl]-biphenyl-2-carboxylic acid methyl ester

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 4'-{[4-methyl-3-(3,3,3-trifluoro-propionylamino)-pyridin-2-ylamino]-methyl}-biphenyl-2-carboxylic acid methyl ester

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride	95%

: 851901-73-0
4'-[(R)-1-(3-Amino-4-methyl-pyridin-2-ylamino)-ethyl]-biphenyl-2-carboxylic acid methyl ester

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 4'-{(R)-1-[4-Methyl-3-(3,3,3-trifluoro-propionylamino)-pyridin-2-ylamino]-ethyl}-biphenyl-2-carboxylic acid methyl ester

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride	95%

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: (Z)-N-(3-(dimethylamino)-2-(trifluoromethyl)allylidene)-N-methylmethanaminium chloride salt

Conditions

Conditions	Yield
Stage #1: N,N-dimethyl-formamide With oxalyl dichloride at 0℃; for 0.166667h; Inert atmosphere; Stage #2: 3,3,3-Trifluoropropionic acid at 0 - 70℃; for 1.16667h;	95%
With trichlorophosphate at 15 - 60℃; for 18h; Inert atmosphere;	82%
With trichlorophosphate at 60℃; for 16h;	63.7%
With phosgene at 0 - 70℃; for 1h;
With oxalyl dichloride at 70℃; for 1h; Inert atmosphere;

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 1338323-37-7
(1R,2R,3S,5R)-2,6,6-trimethyl-2-(naphthalen-1-ylmethoxy)bicyclo[3.1.1]heptan-3-ol

: 1338323-42-4
(1R,2R,3S,5R)-2,6,6-trimethyl-2-(naphthalen-1-ylmethoxy)bicyclo[3.1.1]heptan-3-yl 3,3,3-trifluoropropanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 12h; Inert atmosphere;	95%

: 4701-17-1
5-bromo-2-thiophencarboxaldehyde

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 1352743-46-4
C8H4BrF3O2S

Conditions

Conditions	Yield
Stage #1: 5-bromo-2-thiophencarboxaldehyde; 3,3,3-Trifluoropropionic acid With titanium tetrachloride In tetrahydrofuran; dichloromethane at 20℃; for 0.5h; Stage #2: With triethylamine In tetrahydrofuran; dichloromethane at 20℃; for 40h; Knoevenagel condensation; Stage #3: With water In tetrahydrofuran; dichloromethane at 20℃; optical yield given as %de; stereoselective reaction;	95%

: 2516-99-6
3,3,3-Trifluoropropionic acid

: tetraphenylantimony 3,3,3-trifluoropropanate

: 1 : 1 solvate of tetraphenylantimony 3,3,3-trifluoropropanate with 3,3,3-trifluoropropanoic acid

Conditions

Conditions	Yield
In octane; benzene at 20℃; for 24h;	95%

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 147081-44-5
(3S)-3-amino-1-(tert-butoxycarbonyl)-pyrrolidine

: 891944-04-0
tert-butyl (3S)-3-[(3,3,3-trifluoropropanoyl)amino]pyrrolidine-1-carboxylate

Conditions

Conditions	Yield
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In dichloromethane; ethyl acetate at 0 - 20℃; for 1.5h;	94%

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 7-(3-chloro-4-methoxyphenyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine

: 1-[7-(3-chloro-4-methoxyphenyl)-9-methoxy-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3,3,3-trifluoropropan-1-one

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 12h;	94%

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 2170-05-0
pentaphenylantimony

: tetraphenylantimony 3,3,3-trifluoropropanate

Conditions

Conditions	Yield
In octane; benzene at 20℃;	94%

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 1-(4-chlorophenyl)-2,2-difluoro-2-(4-nitrophenyl)ethan-1-ol

: 1-(4-chlorophenyl)-2,2-difluoro-2-(4-nitrophenyl)-ethyl 3,3,3-trifluoropropanoate

Conditions

Conditions	Yield
Stage #1: 3,3,3-Trifluoropropionic acid; 1-(4-chlorophenyl)-2,2-difluoro-2-(4-nitrophenyl)ethan-1-ol With dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 0.25h; Stage #2: With dmap In dichloromethane at 20℃; for 24h;	93%

: 6066-82-6
1-hydroxy-pyrrolidine-2,5-dione

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 405878-89-9
3,3,3-trifluoroacetic acid N-hydroxysuccinimide ester

Conditions

Conditions	Yield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃;	92%

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 62-53-3
aniline

: 351-12-2
3,3,3-trifluoro-N-phenylpropionamide

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In dichloromethane at 10 - 20℃; for 12h;	92%
Stage #1: 3,3,3-Trifluoropropionic acid With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; for 3h; Stage #2: aniline With triethylamine In dichloromethane; N,N-dimethyl-formamide at 0℃;	92%
Stage #1: 3,3,3-Trifluoropropionic acid With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 20℃; for 3h; Schlenk technique; Stage #2: aniline With triethylamine In dichloromethane; N,N-dimethyl-formamide at 0℃; Schlenk technique;

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 176214-18-9
N-[3-(dimethylamino)-2-(trifluoromethyl)-2-propenylidene]-N-dimethylammonium chloride

Conditions

Conditions	Yield
With trichlorophosphate at 70℃; for 1h;	91%
With trichlorophosphate at 70℃; Inert atmosphere;	74%

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 100-52-7
benzaldehyde

: (Z)-3-phenyl-2-(trifluoromethyl)acrylic acid

Conditions

Conditions	Yield
Stage #1: 3,3,3-Trifluoropropionic acid; benzaldehyde With titanium tetrachloride In tetrahydrofuran; dichloromethane at 20℃; for 0.5h; Stage #2: With triethylamine In tetrahydrofuran; dichloromethane at 20℃; for 40h; Knoevenagel condensation; Stage #3: With water In tetrahydrofuran; dichloromethane at 20℃; optical yield given as %de; stereoselective reaction;	91%
Stage #1: 3,3,3-Trifluoropropionic acid; benzaldehyde With titanium tetrachloride In tetrahydrofuran; dichloromethane at 20℃; for 0.5h; Stage #2: With triethylamine In tetrahydrofuran; dichloromethane for 40h;	70%

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 148-53-8
3-methoxy-2-hydroxybenzaldehyde

: 1392849-00-1
C11H7F3O3

Conditions

Conditions	Yield
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In acetic acid butyl ester; ethyl acetate at 120℃; Perkin condensation;	91%

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 459-57-4
4-fluorobenzaldehyde

: 3-(4-fluorophenyl)-2-(trifluoromethyl)acrylic acid

Conditions

Conditions	Yield
Stage #1: 3,3,3-Trifluoropropionic acid; 4-fluorobenzaldehyde With titanium tetrachloride In tetrahydrofuran; dichloromethane at 20℃; for 0.5h; Aldol Condensation; Stage #2: With triethylamine In tetrahydrofuran; dichloromethane at 20℃; for 24h;	91%

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 2170-05-0
pentaphenylantimony

: 1 : 1 solvate of tetraphenylantimony 3,3,3-trifluoropropanate with 3,3,3-trifluoropropanoic acid

Conditions

Conditions	Yield
In octane; benzene at 20℃; for 24h;	91%

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 1122-91-4
4-bromo-benzaldehyde

: 1321619-38-8
(Z)-3-(4-bromophenyl)-2-(trifluoromethyl)acrylic acid

Conditions

Conditions	Yield
Stage #1: 3,3,3-Trifluoropropionic acid; 4-bromo-benzaldehyde With titanium tetrachloride In tetrahydrofuran; dichloromethane at 20℃; for 0.5h; Stage #2: With triethylamine In tetrahydrofuran; dichloromethane at 20℃; for 40h; Knoevenagel condensation; Stage #3: With water In tetrahydrofuran; dichloromethane at 20℃; optical yield given as %de; stereoselective reaction;	90%
Stage #1: 3,3,3-Trifluoropropionic acid; 4-bromo-benzaldehyde With titanium tetrachloride In tetrahydrofuran; dichloromethane at -10℃; for 0.5h; Stage #2: With 4-methyl-morpholine In tetrahydrofuran; dichloromethane at 20℃; for 40h; Reagent/catalyst; Solvent; Temperature; regioselective reaction;	69%
Stage #1: 3,3,3-Trifluoropropionic acid; 4-bromo-benzaldehyde With titanium tetrachloride In tetrahydrofuran; dichloromethane at 20℃; for 0.5h; Stage #2: With triethylamine In tetrahydrofuran; dichloromethane for 40h;	26%
Stage #1: 3,3,3-Trifluoropropionic acid; 4-bromo-benzaldehyde With titanium tetrachloride In tetrahydrofuran; dichloromethane at 20℃; for 0.5h; Stage #2: With triethylamine for 40h;

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 57946-56-2
2-fluoro-4-chloroaniline

: 1538626-78-6
N-(4-chloro-2-fluoro-phenyl)-3,3,3-trifluoro-propionamide

Conditions

Conditions	Yield
With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane	90%
With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane	90%
With triethylamine; HATU In dichloromethane

: 2516-99-6
3,3,3-Trifluoropropionic acid

: 371-40-4
4-fluoroaniline

: 3,3,3-trifluoro-N-(4-fluorophenyl)propanamide

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In dichloromethane at 10 - 20℃; for 12h;	89%

3,3,3-Trifluoropropionic acid Chemical Properties

IUPAC Name: 3,3,3-Trifluoropropanoate
CAS: 2516-99-6
Molecular Formula: C₃H₃F₃O₂
Molecular Weight: 128.05
Molecular structure:

Melting point: 9.7 °C(lit.)
BRN: 1751796
ACD/LogD (pH 5.5): -1.31
ACD/LogD (pH 7.4): -2.61
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Index of Refraction: 1.325
Molar Refractivity: 17.96 cm³
Molar Volume: 89 cm³
Polarizability: 7.12 10^-24cm³
Surface Tension: 23.8 dyne/cm
Density: 1.437 g/cm³
Flash Point: 31.2 °C
Enthalpy of Vaporization: 40.36 kJ/mol
Boiling Point: 128 °C at 760 mmHg
Vapour Pressure: 6.63 mmHg at 25°C
Product Categories: Fluorochemicals; C1 to C5; Carbonyl Compounds; Carboxylic Acids

3,3,3-Trifluoropropionic acid Safety Profile

Hazard Codes: C
Risk Statements: 34 (34: Causes burns)
Safety Statements: 26-36/37/39-45 (26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 36/37/39: Wear suitable protective clothing, gloves and eye/face protection 45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible))
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
Hazard Note: Corrosive
HazardClass: 8
PackingGroup: II

3,3,3-Trifluoropropionic acid Specification

3,3,3-Trifluoropropionic acid , with CAS number of 2516-99-6, can be called 3,3,3-Trifluoropropionic acid 98% ; 3,3,3-Trifluoropropanoicacid ; Trifluoromethylacetic acid ; propanoic acid, 3,3,3-trifluoro- . It is usually colorless clear liquid. 3,3,3-Trifluoropropionic acid (CAS NO.2516-99-6) is commonly used as pharmaceutical intermediate.

Product Name

3,3,3-Trifluoropropionic acid

Synthetic route

3,3,3-Trifluoropropionic acid Chemical Properties

3,3,3-Trifluoropropionic acid Safety Profile

3,3,3-Trifluoropropionic acid Specification

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