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2516-99-6

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2516-99-6 Usage

Chemical Properties

Clear colorless liquid

Uses

3,3,3-Trifluoropropionic acid may be used in the synthesis of: 2,2,2-trifluoroethyl 3,3,3-trifluoroprionateethyl 3,3,3-trifluoroprionate N-trifluoropropionyl-D-mannosamine3,3,3-trifluoropropanoyl chloride

Check Digit Verification of cas no

The CAS Registry Mumber 2516-99-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,5,1 and 6 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 2516-99:
(6*2)+(5*5)+(4*1)+(3*6)+(2*9)+(1*9)=86
86 % 10 = 6
So 2516-99-6 is a valid CAS Registry Number.
InChI:InChI=1/C3H3F3O2/c4-3(5,6)1-2(7)8/h1H2,(H,7,8)/p-1

2516-99-6 Well-known Company Product Price

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  • TCI America

  • (T1713)  3,3,3-Trifluoropropionic Acid  >98.0%(GC)(T)

  • 2516-99-6

  • 1g

  • 350.00CNY

  • Detail
  • TCI America

  • (T1713)  3,3,3-Trifluoropropionic Acid  >98.0%(GC)(T)

  • 2516-99-6

  • 5g

  • 1,200.00CNY

  • Detail
  • Alfa Aesar

  • (B20428)  3,3,3-Trifluoropropionic acid, 98%   

  • 2516-99-6

  • 1g

  • 345.0CNY

  • Detail
  • Alfa Aesar

  • (B20428)  3,3,3-Trifluoropropionic acid, 98%   

  • 2516-99-6

  • 5g

  • 1389.0CNY

  • Detail
  • Alfa Aesar

  • (B20428)  3,3,3-Trifluoropropionic acid, 98%   

  • 2516-99-6

  • 25g

  • 4261.0CNY

  • Detail

2516-99-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,3,3-trifluoropropanoic acid

1.2 Other means of identification

Product number -
Other names TFPA

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:2516-99-6 SDS

2516-99-6Synthetic route

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

3,3,3-trifluoropropanal

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

3,3,3-Trifluoropropionic acid

Conditions
ConditionsYield
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%
3,3,3-trifluoropropionyl fluoride
85345-75-1

3,3,3-trifluoropropionyl fluoride

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

3,3,3-Trifluoropropionic acid

Conditions
ConditionsYield
With water at 5 - 20℃; for 0.5h;93.4%
With water; sodium hydroxide at 5 - 20℃; for 0.5h;90.2%
methyl 3,3,3-trifluoropropionate
18830-44-9

methyl 3,3,3-trifluoropropionate

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

3,3,3-Trifluoropropionic acid

Conditions
ConditionsYield
With water; sodium hydroxide at 5 - 30℃; for 0.5h;88%
With hydrogen bromide80%
3,3,3-trifluoropropanoyl chloride
41463-83-6

3,3,3-trifluoropropanoyl chloride

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

3,3,3-trifluoro-2-chloropropionyl chloride

A

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

3,3,3-Trifluoropropionic acid

B

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

2-chloro-3,3,3-trifluoropropanoic acid

Conditions
ConditionsYield
With water at 50℃; for 4h; Product distribution / selectivity;A 84.5%
B n/a
3,3,3-trifluoropropanal
460-40-2

3,3,3-trifluoropropanal

A

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

3,3,3-Trifluoropropionic acid

B

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

3,3,3-trifluoro-1-(3,3,3-trifluoro-1-hydroxypropoxy)propan-1-ol

C

C9H9F9O3
936107-88-9

C9H9F9O3

Conditions
ConditionsYield
With water at -10 - 25℃; for 0.166667 - 168h; Product distribution / selectivity;A 0.06%
B 70.9%
C 0.2%
3,3,3-trifluoropropanoyl chloride
41463-83-6

3,3,3-trifluoropropanoyl chloride

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

3,3,3-Trifluoropropionic acid

Conditions
ConditionsYield
With water at 50℃; for 5h; Product distribution / selectivity;70.5%
3,3,3-trifluoropropanal
460-40-2

3,3,3-trifluoropropanal

A

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

3,3,3-trifluoropropanoyl chloride

B

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

3,3,3-Trifluoropropionic acid

C

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

3,3,3-trifluoro-2-chloropropionyl chloride

Conditions
ConditionsYield
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
ethyl 3,3,3-trifluoropropanoate
352-23-8

ethyl 3,3,3-trifluoropropanoate

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

3,3,3-Trifluoropropionic acid

Conditions
ConditionsYield
With sulfuric acid; water at 90℃; for 20h;61%
2-(2,2,2-trifluoroethylidene)-1,3-dithiane
122372-40-1

2-(2,2,2-trifluoroethylidene)-1,3-dithiane

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

3,3,3-Trifluoropropionic acid

Conditions
ConditionsYield
With sulfuric acid; mercury(II) oxide In tetrahydrofuran for 26h; Heating;60%
1-chloro-1,1,3,3,3-pentafluoropropane
460-92-4

1-chloro-1,1,3,3,3-pentafluoropropane

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

1,1-dichloro-1,3,3,3-tetrafluoropropane

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

3,3,3-Trifluoropropionic acid

Conditions
ConditionsYield
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%
3,3,3-Trifluoropropanol
2240-88-2

3,3,3-Trifluoropropanol

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

3,3,3-Trifluoropropionic acid

Conditions
ConditionsYield
With sodium dichromate; sulfuric acid
3,3,3-Trifluorpropionylschwefelsaeure

3,3,3-Trifluorpropionylschwefelsaeure

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

3,3,3-Trifluoropropionic acid

Conditions
ConditionsYield
With water
trifluoromethyl-malonic acid dinitrile
10472-02-3

trifluoromethyl-malonic acid dinitrile

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

3,3,3-Trifluoropropionic acid

Conditions
ConditionsYield
With hydrogenchloride
1,1,1-tribromotrifluoroethane
354-48-3

1,1,1-tribromotrifluoroethane

carbon dioxide
124-38-9

carbon dioxide

A

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

3,3,3-Trifluoropropionic acid

B

2-bromo-3,3,3-trifluoropropanoic acid

2-bromo-3,3,3-trifluoropropanoic acid

Conditions
ConditionsYield
With water; hydrogen cation; zinc In N,N-dimethyl-formamide for 6h; irradiated by ultrasound;A 0.1 % Spectr.
B 1.0 % Spectr.
perfluoroisobutylene
382-21-8

perfluoroisobutylene

A

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

3,3,3-Trifluoropropionic acid

B

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

3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid

C

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

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

D

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

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

Conditions
ConditionsYield
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;
perfluoroisobutylene
382-21-8

perfluoroisobutylene

A

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

3,3,3-Trifluoropropionic acid

B

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

2,2,3,3-tetra(trifluoromethyl)-perfluorobutane

C

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

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

D

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

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

Conditions
ConditionsYield
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;
trifluoromethylketene
134736-46-2

trifluoromethylketene

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

3,3,3-Trifluoropropionic acid

Conditions
ConditionsYield
With water Rate constant;
cyclohexyl trifluoropropionate

cyclohexyl trifluoropropionate

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

3,3,3-Trifluoropropionic acid

Conditions
ConditionsYield
With trimethylsilyl iodide In chloroform at 65℃; for 9h;1.7 g
iodotrifluoromethane
2314-97-8

iodotrifluoromethane

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

1-(tert-butyldimethylsilyloxy)-1-tert-butoxyethylene

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

3,3,3-Trifluoropropionic acid

Conditions
ConditionsYield
With triethyl borane; oxonium 1.) hexane, RT, 2h, 2.) RT, 15 h; Yield given. Multistep reaction;
3,3,3-trifluoroprop-1-yne
661-54-1

3,3,3-trifluoroprop-1-yne

sulfuric acid
7664-93-9

sulfuric acid

mercury(II) sulfate

mercury(II) sulfate

A

trifluoromethan
75-46-7

trifluoromethan

B

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

1,1,1-trifluoro-2-propanone

C

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

3,3,3-Trifluoropropionic acid

D

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

methylammonium carbonate

Conditions
ConditionsYield
at 135℃;
1,1,1-trifluoro-3-diazo-2-oxopropane
433-26-1

1,1,1-trifluoro-3-diazo-2-oxopropane

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

3,3,3-Trifluoropropionic acid

Conditions
ConditionsYield
In diethyl ether for 0.25h; Photolysis;
3,3,3-trifluoropropanal dimethyl acetal
116586-94-8

3,3,3-trifluoropropanal dimethyl acetal

A

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

3,3,3-Trifluoropropionic acid

B

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

methyl 3,3,3-trifluoropropionate

Conditions
ConditionsYield
With hydrogenchloride; dihydrogen peroxide; iron(III) chloride at 80℃; for 1h;A 95 % Chromat.
B 3 % Chromat.
3,3,3-trifluoropropanal dimethyl acetal
116586-94-8

3,3,3-trifluoropropanal dimethyl acetal

A

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

3,3,3-trifluoropropanal

B

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

3,3,3-Trifluoropropionic acid

C

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

methyl 3,3,3-trifluoropropionate

Conditions
ConditionsYield
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.
3,3,3-trifluoropropanal
460-40-2

3,3,3-trifluoropropanal

A

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

3,3,3-trifluoropropanoyl chloride

B

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

3,3,3-Trifluoropropionic acid

C

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

3,3,3-trifluoro-2-chloropropionaldehyde

D

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

3,3,3-trifluoro-2-chloropropionyl chloride

E

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

2,2-dichloro-3,3,3-trifluoro-propionaldehyde

Conditions
ConditionsYield
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;
3,3,3-trifluoropropanal
460-40-2

3,3,3-trifluoropropanal

A

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

3,3,3-trifluoropropanoyl chloride

B

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

3,3,3-Trifluoropropionic acid

C

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

3,3,3-trifluoro-2-chloropropionaldehyde

D

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

3,3,3-trifluoro-2-chloropropionyl chloride

Conditions
ConditionsYield
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;
3,3,3-trifluoropropanal
460-40-2

3,3,3-trifluoropropanal

A

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

3,3,3-trifluoropropanoyl chloride

B

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

3,3,3-Trifluoropropionic acid

C

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

3,3,3-trifluoro-2-chloropropionaldehyde

D

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

2,2-dichloro-3,3,3-trifluoro-propionaldehyde

Conditions
ConditionsYield
With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile) In acetonitrile at 50℃; for 4.08333h; Product distribution / selectivity;
3,3,3-trifluoropropanal
460-40-2

3,3,3-trifluoropropanal

A

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

3,3,3-trifluoropropanoyl chloride

B

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

3,3,3-Trifluoropropionic acid

C

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

3,3,3-trifluoro-2-chloropropionaldehyde

Conditions
ConditionsYield
With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile) In toluene at 50℃; for 2.08333h; Product distribution / selectivity;
3,3,3-trifluoropropanal
460-40-2

3,3,3-trifluoropropanal

A

formic acid
64-18-6

formic acid

B

Carbonyl fluoride
353-50-4

Carbonyl fluoride

C

2,2,2-trifluoroethanol
75-89-8

2,2,2-trifluoroethanol

D

2,2,2-Trifluoroacetaldehyde
75-90-1

2,2,2-Trifluoroacetaldehyde

E

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

3,3,3-Trifluoropropionic acid

Conditions
ConditionsYield
Quantum yield; Mechanism; Pressure; Photolysis; UV-irradiation; Air;
S-(3,3,3-trifluoropropionyl)-N-acetylcysteamine
1402718-98-2

S-(3,3,3-trifluoropropionyl)-N-acetylcysteamine

A

2-(acetylamino)ethanethiol
1190-73-4

2-(acetylamino)ethanethiol

B

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

3,3,3-Trifluoropropionic acid

Conditions
ConditionsYield
With erythromycin thioesterase In dimethylsulfoxide-d6 pH=7.5; Kinetics; aq. buffer; Enzymatic reaction;
3,3,3-Trifluoropropionic acid
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

(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

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

Conditions
ConditionsYield
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%
3,3,3-Trifluoropropionic acid
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

(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

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
ConditionsYield
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%
morpholine
110-91-8

morpholine

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

3,3,3-Trifluoropropionic acid

3,3,3-trifluoropropanoic acid morpholide

3,3,3-trifluoropropanoic acid morpholide

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In tetrahydrofuran; N,N-dimethyl-formamide at 65℃; for 24h;100%
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

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

3,3,3-trifluoropropanoyl chloride

Conditions
ConditionsYield
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%
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

C15H17N3

C15H17N3

water
7732-18-5

water

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

silver(I) 4-chlorobenzoate

cobalt(II) bromide

cobalt(II) bromide

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

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

Conditions
ConditionsYield
at 100℃; for 24h; Sealed tube;98%
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

benzyl alcohol
100-51-6

benzyl alcohol

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

benzyl 3,3,3-trifluoropropanoate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide97%
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%
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

triphenylantimony
603-36-1

triphenylantimony

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

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

Conditions
ConditionsYield
With tert.-butylhydroperoxide In diethyl ether at 20℃; for 24h;96%
methyl 4'-{[(3-aminopyridin-2-yl)amino]methyl}-biphenyl-2-carboxylate
661485-12-7

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

3,3,3-Trifluoropropionic acid
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

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

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride95%
4'-[(3-amino-4-methyl-pyridin-2-ylamino)-methyl]-biphenyl-2-carboxylic acid methyl ester
851901-72-9

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

3,3,3-Trifluoropropionic acid
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

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

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride95%
4'-[(R)-1-(3-Amino-4-methyl-pyridin-2-ylamino)-ethyl]-biphenyl-2-carboxylic acid methyl ester
851901-73-0

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

3,3,3-Trifluoropropionic acid
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

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

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride95%
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

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

N,N-dimethyl-formamide

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

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

Conditions
ConditionsYield
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;
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

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

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

(1R,2R,3S,5R)-2,6,6-trimethyl-2-(naphthalen-1-ylmethoxy)bicyclo[3.1.1]heptan-3-yl 3,3,3-trifluoropropanoate
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
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 12h; Inert atmosphere;95%
5-bromo-2-thiophencarboxaldehyde
4701-17-1

5-bromo-2-thiophencarboxaldehyde

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

3,3,3-Trifluoropropionic acid

C8H4BrF3O2S
1352743-46-4

C8H4BrF3O2S

Conditions
ConditionsYield
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%
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

tetraphenylantimony 3,3,3-trifluoropropanate

tetraphenylantimony 3,3,3-trifluoropropanate

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

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

Conditions
ConditionsYield
In octane; benzene at 20℃; for 24h;95%
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

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

(3S)-3-amino-1-(tert-butoxycarbonyl)-pyrrolidine

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

tert-butyl (3S)-3-[(3,3,3-trifluoropropanoyl)amino]pyrrolidine-1-carboxylate

Conditions
ConditionsYield
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%
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

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

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

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

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 12h;94%
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

pentaphenylantimony
2170-05-0

pentaphenylantimony

tetraphenylantimony 3,3,3-trifluoropropanate

tetraphenylantimony 3,3,3-trifluoropropanate

Conditions
ConditionsYield
In octane; benzene at 20℃;94%
3,3,3-Trifluoropropionic acid
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)ethan-1-ol

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

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

Conditions
ConditionsYield
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%
1-hydroxy-pyrrolidine-2,5-dione
6066-82-6

1-hydroxy-pyrrolidine-2,5-dione

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

3,3,3-Trifluoropropionic acid

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

3,3,3-trifluoroacetic acid N-hydroxysuccinimide ester

Conditions
ConditionsYield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃;92%
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

aniline
62-53-3

aniline

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

3,3,3-trifluoro-N-phenylpropionamide

Conditions
ConditionsYield
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;
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

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

N,N-dimethyl-formamide

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

N-[3-(dimethylamino)-2-(trifluoromethyl)-2-propenylidene]-N-dimethylammonium chloride

Conditions
ConditionsYield
With trichlorophosphate at 70℃; for 1h;91%
With trichlorophosphate at 70℃; Inert atmosphere;74%
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

benzaldehyde
100-52-7

benzaldehyde

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

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

Conditions
ConditionsYield
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%
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

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

3-methoxy-2-hydroxybenzaldehyde

C11H7F3O3
1392849-00-1

C11H7F3O3

Conditions
ConditionsYield
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%
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

4-fluorobenzaldehyde
459-57-4

4-fluorobenzaldehyde

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

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

Conditions
ConditionsYield
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%
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

pentaphenylantimony
2170-05-0

pentaphenylantimony

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

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

Conditions
ConditionsYield
In octane; benzene at 20℃; for 24h;91%
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

4-bromo-benzaldehyde
1122-91-4

4-bromo-benzaldehyde

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

(Z)-3-(4-bromophenyl)-2-(trifluoromethyl)acrylic acid

Conditions
ConditionsYield
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;
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

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

2-fluoro-4-chloroaniline

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

N-(4-chloro-2-fluoro-phenyl)-3,3,3-trifluoro-propionamide

Conditions
ConditionsYield
With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane90%
With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane90%
With triethylamine; HATU In dichloromethane
3,3,3-Trifluoropropionic acid
2516-99-6

3,3,3-Trifluoropropionic acid

4-fluoroaniline
371-40-4

4-fluoroaniline

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

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

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

2516-99-6Relevant articles and documents

Peters et al.

, p. 376,377 (1971)

UV absorption cross sections between 230 and 350 nm and pressure dependence of the photolysis quantum yield at 308 nm of CF3CH2CHO

Antinolo, Maria,Jimenez, Elena,Albaladejo, Jose

, p. 15936 - 15946 (2011)

Ultraviolet (UV) absorption cross sections of CF3CH 2CHO were determined between 230 and 350 nm by gas-phase UV spectroscopy. The forbidden n → π* transition was characterized as a function of temperature (269-323 K). In addition, the photochemical degradation of CF3CH2CHO was investigated at 308 nm. The possible photolysis channels are: CF3CH2 + HCO (R1a), CF3CH3 + CO (R1b), and CF3CH2CO + H (R1c). Photolysis quantum yields of CF3CH2CHO at 308 nm, Φλ=308nm, were measured as a function of pressure (25-760 Torr of synthetic air). The pressure dependence of Φ λ=308nm can be expressed as the following Stern-Volmer equation: 1/Φλ=308nm = (4.65 ± 0.56) + (1.51 ± 0.04) × 10-18 [M] ([M] in molecule cm-3). Using the absorption cross sections and the photolysis quantum yields reported here, the photolysis rate coefficient of this fluorinated aldehyde throughout the troposphere was estimated. This calculation shows that tropospheric photolysis of CF3CH2CHO is competitive with the removal initiated by OH radicals at low altitudes, but it can be the major degradation route at higher altitudes. Photodegradation products (CO, HC(O)OH, CF 3CHO, CF3CH2OH, and F2CO) were identified and also quantified by Fourier transform infrared spectroscopy. CF3CH2C(O)OH was identified as an end-product as a result of the chemistry involving CF3CH2CO radicals formed in the OH + CF3CH2CHO reaction. In the presence of an OH-scavenger (cyclohexane), CF3CH2C(O)OH was not detected, indicating that channel (R1c) is negligible. Based on a proposed mechanism, our results provide strong evidences of the significant participation of the radical-forming channel (R1a).

Preparation method of 3, 3, 3-trifluoropropionic acid

-

Paragraph 0036; 0039; 0040; 0044; 0045; 0049; 0050; 0054, (2020/05/02)

The invention discloses a preparation method of 3, 3, 3-trifluoropropionic acid. The preparation method comprises the following steps: firstly, taking 2-chloro-1-1-difluoroethylene (a) as a raw material and carrying out a carbonylation reaction between the raw material and carbon monoxide to obtain 3, 3-difluoro-2-allyl chloride (b); carrying out a fluorination reaction on 3, 3-difluoro 2-allyl chloride by using hydrogen fluoride (HF) to obtain 3, 3, 3-trifluoropropionyl fluoride (c); and finally hydrolyzing the 3, 3, 3-trifluoropropionyl fluoride to obtain trifluoropropionic acid (d). The preparation method has the advantages as follows: the raw materials are cheap and easily available; conditions are mild; conversion rate of the starting material is high; and the total yield of the three-step reactions can reach 50% or above.

A 3, 3, 3 - three fluorine propionic acid high efficient synthesis method

-

Paragraph 0021-0052, (2019/03/23)

The invention discloses a 3, 3, 3 - three fluorine propionic acid preparation method, relates to pharmaceutical intermediates preparation field, specifically comprises the following steps: first preparing a walnut shells powder, and then mixed with the tetrabutyl titanate, access with water-nitrogen, reaction at certain temperature, the produced solid with the molybdate mixed sintering treatment, to obtain the catalyst, finally to 3, 3, 3 - trifluoro propionaldehyde as raw materials, in order to hydrogen peroxide as the oxidizing agent, the above mentioned catalyst under the catalysis of the reaction, to obtain the target product, 3, 3, 3 - trifluoro propionaldehyde. The method of the invention process is simple, less catalyst levels, high product yield.

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