2-(Trifluoromethyl)pyridine supplier

Name
2-(Trifluoromethyl)pyridine
EINECS 206-708-8
CAS No. 368-48-9
Article Data49
CAS DataBase
Density 1.266 g/cm³
Solubility
Melting Point
Formula C₆H₄F₃N
Boiling Point 115.3 °C at 760 mmHg
Molecular Weight 147.1
Flash Point 23.5 °C
Transport Information UN 1993 3/PG 3
Appearance brown liquids
Safety 16-26-36
Risk Codes 10-36/37/38
Molecular Structure
Hazard Symbols Xi, F
Synonyms α,α,α-Trifluoro-2-picoline;2-(1,1,1-Trifluoromethyl)pyridine;
PSA 12.89000
LogP 2.10040

Synthetic route

: 109-04-6
2-bromo-pyridine

: 81290-20-2
(trifluoromethyl)trimethylsilane

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
Stage #1: (trifluoromethyl)trimethylsilane With silver fluoride In N,N-dimethyl-formamide at 20℃; for 0.333333h; Stage #2: With copper In N,N-dimethyl-formamide for 4h; Stage #3: 2-bromo-pyridine In N,N-dimethyl-formamide at 90℃; for 5h;	79%

: 109-04-6
2-bromo-pyridine

: 129946-88-9
Umemoto's reagent

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With copper In N,N-dimethyl-formamide at 0 - 80℃; for 4h; Inert atmosphere;	96%

: 5029-67-4
2-iodopyridine

: N-methyl-2-phenyl-2-trifluoromethylbenzimidazoline

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With potassium carbonate; copper(l) chloride at 60℃; for 48h; Inert atmosphere;	57%
With copper(l) iodide; 4,4'-Dimethoxy-2,2'-bipyridin; potassium carbonate In benzonitrile at 90℃; for 48h;	80 %Spectr.

: 109-04-6
2-bromo-pyridine

: 431-47-0
trifluoroacetic acid-methyl ester

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With cesium fluoride; copper(l) iodide In N,N-dimethyl-formamide at 180℃; for 8h;	45%

: 5029-67-4
2-iodopyridine

: 81290-20-2
(trifluoromethyl)trimethylsilane

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With potassium fluoride; copper(l) iodide In 1-methyl-pyrrolidin-2-one; N,N-dimethyl-formamide at 25℃; for 6h;	68%

: 109-04-6
2-bromo-pyridine

: 88986-32-7
methyl 3-oxa-ω-fluorosulfonylperfluoropentanoate

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With copper(l) iodide In N,N-dimethyl-formamide at 120℃; for 8h;	70%

: 109-04-6
2-bromo-pyridine

: 77152-08-0
trifluoromethylcopper(I)

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With triethylamine tris(hydrogen fluoride) In N,N-dimethyl-formamide at 80℃; for 8h; Inert atmosphere;	90 %Spectr.
With triethylamine tris(hydrogen fluoride) In N,N-dimethyl-formamide at 80℃; for 20h;	57 %Spectr.

: 109-09-1
2-chloropyridine

: 88986-32-7
methyl 3-oxa-ω-fluorosulfonylperfluoropentanoate

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With copper(l) iodide In N,N-dimethyl-formamide at 120℃; for 8h;	64%

: 39890-95-4
2-chloro-6-trifluoromethylpyridine

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With N,N-dimethyl-ethanamine; hydrogen; palladium on activated charcoal In acetic acid methyl ester for 1.5h;

: 109-04-6
2-bromo-pyridine

: Potassium; difluoro-(1,1,2,2-tetrafluoro-2-fluorosulfonyl-ethoxy)-acetate

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With copper(l) iodide In N,N-dimethyl-formamide at 45℃; for 8h;	52%

: 39890-95-4
2-chloro-6-trifluoromethylpyridine

: 609-08-5
Diethyl methylmalonate

A: 368-48-9
2-(trifluoromethyl)pyridine

B: 2-<2-(6-trifluoromethylpyridyl)>-2-methylmalonic acid diethylester

Conditions

Conditions	Yield
With potassium tert-butylate In ammonia at -78℃; for 4h; Irradiation;	A n/a B 44%

...Expand

: 109-04-6
2-bromo-pyridine

: 2,8-difluoro-5-(trifluoromethyl)-5Hdibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With copper In N,N-dimethyl-formamide Inert atmosphere;	99%

: 126247-93-6, 126247-97-0
6,6,6-trifluoro-1-ethoxy-1,3-hexadien-5-one

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With ammonium carbonate at 90 - 130℃;	62%

: 5029-67-4
2-iodopyridine

: Cu(2+)*2C2F3O4S(1-)

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With copper In N,N-dimethyl-formamide at 20℃; for 3h; Inert atmosphere;	80 %Spectr.

: 5029-67-4
2-iodopyridine

: [(1,10-phenanthroline)2Cu][O2CCF2Cl]

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With cesium fluoride; sodium hydroxide In N,N-dimethyl-formamide at 75℃; for 3h; Inert atmosphere; Sealed tube;	97 %Spectr.

: 109-04-6
2-bromo-pyridine

: 2923-18-4
sodium 2,2,2-trifluoroacetate

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With copper(l) iodide In various solvent(s) at 60℃; for 4h;	41 % Chromat.

: 109-04-6
2-bromo-pyridine

: (1,10-phenanthroline)(trifluoromethyl)copper (I)

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 80℃; for 8h; Sealed tube; Inert atmosphere;	94 %Spectr.

: 2-trifluoromethyl-pyridine-5-diazonium tetrafluoroborate

: 94839-07-3
3,4-(methylenedioxy)-benzeneboronic acid

A: 5-(3',4'-methylenedioxyphenyl)-2-trifluoromethyl-pyridine

B: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With palladium diacetate In ethanol at 30℃; for 24h; Inert atmosphere;	A 7% B n/a

...Expand

: 58809-73-7
2-(methylthio)propionic acid

: 436799-32-5
5-bromo-2(trifluoromethyl)pyridine

A: (±)5-(1-(methylthio)ethyl)-2-trifluoromethyl pyridine

B: 368-48-9
2-(trifluoromethyl)pyridine

C: C7H6F3NS

Conditions

Conditions	Yield
With (1,2-dimethoxyethane)dichloronickel(II); [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate; caesium carbonate; 4,4'-di-tert-butyl-2,2'-bipyridine In N,N-dimethyl acetamide for 17h; Solvent; Reagent/catalyst; Inert atmosphere; Sealed tube; Irradiation;	A 70% B n/a C n/a

...Expand

: 5029-67-4
2-iodopyridine

: 371-76-6
bis(trifluoromethyl)mercury

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With ISOPROPYLAMIDE; copper	74%

: 109-09-1
2-chloropyridine

: 75-61-6
dibromodifluoromethane

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With copper In N,N-dimethyl acetamide at 100℃; for 8h;	13 % Chromat.

: 5029-67-4
2-iodopyridine

: 325810-07-9
tris(triphenylphosphane)(trifluoromethyl)copper(I)

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With 4,4'-di-tert-butyl-2,2'-bipyridine In toluene at 80℃;	75 %Spectr.

: 109-04-6
2-bromo-pyridine

: 75-46-7
trifluoromethan

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
Stage #1: trifluoromethan With fluorobenzene; potassium tert-butylate; copper(l) chloride In N,N-dimethyl-formamide for 0.25h; Inert atmosphere; Stage #2: With triethylamine tris(hydrogen fluoride) In N,N-dimethyl-formamide Inert atmosphere; Stage #3: 2-bromo-pyridine In N,N-dimethyl-formamide at 50℃; for 16h; Inert atmosphere;	30 %Spectr.

: 5029-67-4
2-iodopyridine

: 75-46-7
trifluoromethan

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
Stage #1: trifluoromethan With fluorobenzene; potassium tert-butylate; copper(l) chloride In N,N-dimethyl-formamide for 0.25h; Inert atmosphere; Stage #2: With triethylamine tris(hydrogen fluoride) In N,N-dimethyl-formamide Inert atmosphere; Stage #3: 2-iodopyridine In N,N-dimethyl-formamide at 50℃; for 16h; Inert atmosphere;	99 %Spectr.

: 5029-67-4
2-iodopyridine

: (1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone)2Zn(CF3)2

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; copper(l) iodide at 50℃; for 24h; Inert atmosphere;	85 %Spectr.

: 5029-67-4
2-iodopyridine

: 2314-97-8
iodotrifluoromethane

: 7440-66-6
zinc

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
Stage #1: iodotrifluoromethane; zinc With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone at 20℃; for 2h; Inert atmosphere; Stage #2: 2-iodopyridine With copper(l) iodide at 50℃; for 24h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; chemoselective reaction;	96 %Spectr.

...Expand

: 353-85-5
trifluoroacetonitrile

: 106-99-0
buta-1,3-diene

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
at 475℃;
at 400℃;
at 350 - 520℃; Kinetics; in der Gasphase;

: 109-09-1
2-chloropyridine

: 75-61-6
dibromodifluoromethane

A: 1743-97-1
2-heptafluoropropyl-pyridine

B: 1744-46-3
2-(pentafluoroethyl)pyridine

C: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With ISOPROPYLAMIDE; copper at 100℃; for 8h;	A n/a B 23% C 13%

...Expand

: 5029-67-4
2-iodopyridine

: 77152-08-0
trifluoromethylcopper(I)

: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 50℃; for 24h;	93 %Spectr.

: 110-86-1
pyridine

: 75-63-8
Bromotrifluoromethane

A: 3796-24-5
4-trifluoromethylpyridine

B: 3796-23-4
3-(trifluoromethyl)pyridine

C: 368-48-9
2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With dipotassium hydrogenphosphate; sodium dithionite In water at 65℃; under 2250.2 - 3750.3 Torr; for 2h;	A 5% B 1% C 4%

...Expand

: 368-48-9
2-(trifluoromethyl)pyridine

: 1063697-17-5
3-hydroxy-2-trifluoromethylpyridine

Conditions

Conditions	Yield
Stage #1: 2-(trifluoromethyl)pyridine With 2,2,6,6-tetramethyl-piperidine; n-butyllithium In tetrahydrofuran; hexane at -78℃; for 16h; Stage #2: With Trimethyl borate In tetrahydrofuran; hexane for 2h; Stage #3: With peracetic acid In tetrahydrofuran; hexane; water; acetic acid at 0℃; for 1h;	72%
Stage #1: 2-(trifluoromethyl)pyridine With 2,2,6,6-tetramethyl-piperidine; n-butyllithium In tetrahydrofuran; hexane at -78℃; for 16h; Inert atmosphere; Stage #2: With Trimethyl borate In tetrahydrofuran; hexane at -78℃; for 2h; Inert atmosphere; Stage #3: With peracetic acid In tetrahydrofuran; hexane; acetic acid at -78 - 0℃; for 1h; Inert atmosphere; regioselective reaction;	72%
Stage #1: 2-(trifluoromethyl)pyridine With 2,2,6,6-tetramethyl-piperidine; n-butyllithium In tetrahydrofuran at -78 - -70℃; for 2h; Stage #2: With Trimethyl borate In tetrahydrofuran at -70℃; for 2h; Stage #3: With dihydrogen peroxide In tetrahydrofuran at -70 - 0℃; for 1h;	67%

: 368-48-9
2-(trifluoromethyl)pyridine

: 22253-71-0
2-(trifluoro-methyl)pyridine 1-oxide

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; for 72h;	47%
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; for 24h;	47%
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 24℃; for 12h; Inert atmosphere;	41%

: 368-48-9
2-(trifluoromethyl)pyridine

: 590371-71-4
3-iodo-2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; iodine In tetrahydrofuran; hexane at -75℃; for 2h;	89%
Stage #1: 2-(trifluoromethyl)pyridine With 2,2,6,6-tetramethyl-piperidine; n-butyllithium In tetrahydrofuran; hexane at -78℃; for 2h; Cooling with acetone-dry ice; Stage #2: With iodine In tetrahydrofuran; hexane at -78 - 20℃;	68%

: 1055306-64-3
tert-butyl 3,3-difluoro-4-methylidene-2-oxopyrrolidine-1-carboxylate

: 368-48-9
2-(trifluoromethyl)pyridine

: 1055306-66-5
tert-butyl {3,3-difluoro-2-methylene-4-oxo-4-[2-(trifluoromethyl)pyridin-3-yl]butyl}carbamate

Conditions

Conditions	Yield
Stage #1: 2-(trifluoromethyl)pyridine With 2,2,6,6-tetramethyl-piperidine; n-butyllithium In tetrahydrofuran; hexane at -78℃; for 2.75h; Stage #2: tert-butyl 3,3-difluoro-4-methylidene-2-oxopyrrolidine-1-carboxylate In tetrahydrofuran; hexane at -78℃; for 2h; Stage #3: With water; ammonium chloride In tetrahydrofuran; hexane	87%

: 368-48-9
2-(trifluoromethyl)pyridine

: 2-(trifluoromethyl)piperidine hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; hydrogen; platinum(IV) oxide In water; acetic acid under 2068.65 Torr; for 72h;
With hydrogenchloride; hydrogen; platinum(IV) oxide In water; acetic acid under 2068.65 Torr; for 72h;
With hydrogenchloride; hydrogen; platinum(IV) oxide In water; acetic acid under 2068.65 Torr; for 72h;

: 368-48-9
2-(trifluoromethyl)pyridine

: (+/-)-2-(trifluoromethyl)piperidine

Conditions

Conditions	Yield
With [Rh(cod)(CI)(CAACMe2)]; hydrogen In hexane at 40℃; for 24h; Molecular sieve; diastereoselective reaction;	70%
With [Rh(cod)(CI)(CAACMe2)]; hydrogen In hexane at 50℃; under 45004.5 Torr; for 24h; Molecular sieve;
With methanesulfonic acid; hydrogen; [(E)-4-methoxy-N-(1-(4-methoxyphenyl)ethylidene)aniline]iridium(III) mesylate In isopropyl alcohol at 50℃; under 37503.8 Torr; for 16h; Autoclave;

: 124-38-9
carbon dioxide

: 368-48-9
2-(trifluoromethyl)pyridine

: 131747-42-7
6-(trifluoromethyl)pyridine-2-carboxylic acid

Conditions

Conditions	Yield
With n-butyllithium; 2-(N,N-dimethylamino)ethanol In diethyl ether; hexane at -75℃; for 2h;	71%
Stage #1: 2-(trifluoromethyl)pyridine With n-butyllithium; 2-(N,N-dimethylamino)ethanol In diethyl ether; hexane at -65℃; Inert atmosphere; Stage #2: carbon dioxide In diethyl ether; hexane at -65 - 50℃; Inert atmosphere;
Stage #1: 2-(trifluoromethyl)pyridine With n-butyllithium In diethyl ether; hexane at -65℃; Inert atmosphere; Stage #2: carbon dioxide In diethyl ether; hexane at 0 - 5℃;

: 368-48-9
2-(trifluoromethyl)pyridine

: 83249-10-9
3‐(methoxycarbonyl)bicyclo[1.1.1]pentane‐1‐carboxylic acid

: methyl 3-(6-(trifluoromethyl)pyridin-2-yl)bicyclo[1.1.1]pentane-1-carboxylate

Conditions

Conditions	Yield
With sodium persulfate; sulfuric acid; silver nitrate In water; acetonitrile at 80℃; for 2h;	5%

: 368-48-9
2-(trifluoromethyl)pyridine

: 82113-66-4
trimethylsilyl bis(trifluoromethanesulfonyl)imide

: 6163-58-2
tris-(o-tolyl)phosphine

: C27H25F2NP(1+)*C2F6NO4S2(1-)

Conditions

Conditions	Yield
With tris(pentafluorophenyl)borate In 1,2-dichloro-benzene at 150℃; for 40h; Inert atmosphere;	64%

...Expand

: 108-01-0
2-(N,N-dimethylamino)ethanol

: 368-48-9
2-(trifluoromethyl)pyridine

: 131747-42-7
6-(trifluoromethyl)pyridine-2-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 2-(N,N-dimethylamino)ethanol With n-butyllithium In diethyl ether; hexane at -75 - -65℃; for 0.166667h; Inert atmosphere; Stage #2: 2-(trifluoromethyl)pyridine In diethyl ether; hexane at -65℃; Inert atmosphere;

: 5419-55-6
Triisopropyl borate

: 368-48-9
2-(trifluoromethyl)pyridine

: 67-63-0
isopropyl alcohol

: C15H24BF3NO3(1-)*Li(1+)

Conditions

Conditions	Yield
Stage #1: 2-(trifluoromethyl)pyridine With n-butyllithium In diethyl ether; hexane; toluene at -100℃; for 0.7h; Inert atmosphere; Stage #2: Triisopropyl borate In diethyl ether; hexane; toluene at -70℃; for 4h; Inert atmosphere; Stage #3: isopropyl alcohol In diethyl ether; hexane; toluene for 2.5h; Inert atmosphere;

...Expand

: 124-38-9
carbon dioxide

: 368-48-9
2-(trifluoromethyl)pyridine

: 131747-43-8
2-(trifluoromethyl)nicotinic acid

Conditions

Conditions	Yield
With 2,2,6,6-tetramethylpiperidinyl-lithium at -78℃; for 6h; Large scale reaction;	77%
With 2,2,6,6-tetramethyl-piperidine; n-butyllithium In tetrahydrofuran; hexane at -75℃; for 6h;	73%

: 368-48-9
2-(trifluoromethyl)pyridine

: 147149-98-2
2-(trifluoromethyl)pyridin-4-amine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2O2, acetic acid 2: 89 percent / H2 / 10percent Pd/C / aq. ethanol / 0.75 h / 1810.02 Torr View Scheme
Multi-step reaction with 3 steps 1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 12 h / 25 °C 2: sulfuric acid; nitric acid / 4 h / 0 - 125 °C 3: hydrogen / palladium 10% on activated carbon / 12 h View Scheme
Multi-step reaction with 3 steps 1.1: dihydrogen peroxide; acetic acid / water / 12 h / 20 - 70 °C 1.2: pH 7 2.1: sulfuric acid; nitric acid / 2 h / 0 - 130 °C 2.2: pH 7 3.1: hydrogen / palladium 10% on activated carbon / ethanol / 3 h / 20 °C / 1551.49 Torr / Inert atmosphere View Scheme

: 368-48-9
2-(trifluoromethyl)pyridine

: 36016-40-7
mesitylenesulfonylhydroxylamine

: 895636-79-0
1-amino-2-trifluoromethylpyridinium mesitylenesulfonate

Conditions

Conditions	Yield
In chloroform at 20℃; for 108h;

: 627-27-0
homoalylic alcohol

: 368-48-9
2-(trifluoromethyl)pyridine

: 5,5-difluoro-5-(pyridin-2-yl)pentan-1-ol

Conditions

Conditions	Yield
With Cyclohexanethiol; 10-(naphthalen-1-yl)-10H-phenothiazine; sodium formate In water; dimethyl sulfoxide at 23℃; for 24h; Irradiation; Inert atmosphere; Sealed tube; Schlenk technique;	47%
With 3,7-di([1,1′-biphenyl]-4-yl)-10-(naphthalen-1-yl)-10H-phenoxazine; potassium formate; thiophenol In dimethyl sulfoxide at 23℃; for 24h; Inert atmosphere; Irradiation; Sealed tube;	43%

: 292638-84-7
styrene

: 16881-77-9
(dimethoxy)methylsilane

: 368-48-9
2-(trifluoromethyl)pyridine

: (S)-1-(dimethoxy(methyl)silyl)-4-(1-phenylethyl)-2-(trifluoromethyl)-1,4-dihydropyridine

: 1-(dimethoxy(methyl)silyl)-4-(1-phenylethyl)-2-(trifluoromethyl)-1,4-dihydropyridine

Conditions

Conditions	Yield
Stage #1: styrene; (dimethoxy)methylsilane With copper diacetate; (R,R)-1,2-bis(2,5-diphenylphospholanyl)ethane In tetrahydrofuran-d8 at 20℃; Glovebox; Sealed tube; Stage #2: 2-(trifluoromethyl)pyridine In tetrahydrofuran-d8 at 20℃; for 23.5h; Glovebox; Sealed tube; Overall yield = 12 percentSpectr.; Optical yield = 33.333 percent de; diastereoselective reaction;

...Expand

: 368-48-9
2-(trifluoromethyl)pyridine

: 147149-99-3
dithiocarbonic acid O-ethyl S-(2-(trifluoromethyl)pyridin-4-yl) diester

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: H2O2, acetic acid 2: 89 percent / H2 / 10percent Pd/C / aq. ethanol / 0.75 h / 1810.02 Torr 3: 1.) NaNO2, conc. H2SO4 / 1.) H2O, 0 deg C, 5 min, 2.) H2O, from 5 deg C to RT View Scheme

: 368-48-9
2-(trifluoromethyl)pyridine

: 2,6-Dimethyl-5-(2-trifluoromethyl-pyridin-4-ylsulfanyl)-3H-quinazolin-4-one

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: H2O2, acetic acid 2: 89 percent / H2 / 10percent Pd/C / aq. ethanol / 0.75 h / 1810.02 Torr 3: 1.) NaNO2, conc. H2SO4 / 1.) H2O, 0 deg C, 5 min, 2.) H2O, from 5 deg C to RT 4: 1.) 1 N KOH, 2.) CuBr, Cu2O / 1.) MeOH, 90 min, 2.) DMA, 90 deg C, 6 h View Scheme

: 368-48-9
2-(trifluoromethyl)pyridine

: 2-Amino-6-methyl-5-(2-trifluoromethyl-pyridin-4-ylsulfanyl)-3H-quinazolin-4-one

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: H2O2, acetic acid 2: 89 percent / H2 / 10percent Pd/C / aq. ethanol / 0.75 h / 1810.02 Torr 3: 1.) NaNO2, conc. H2SO4 / 1.) H2O, 0 deg C, 5 min, 2.) H2O, from 5 deg C to RT 4: 1.) 1 N KOH, 2.) CuBr, Cu2O / 1.) MeOH, 90 min, 2.) DMA, 90 deg C, 6 h View Scheme

: 368-48-9
2-(trifluoromethyl)pyridine

A: 114468-01-8
2-(difluoromethyl)pyridine

B: 2-(fluoromethyl)pyridine

Conditions

Conditions	Yield
With 3,7-di([1,1′-biphenyl]-4-yl)-10-(naphthalen-1-yl)-10H-phenoxazine; cesium formate In dimethyl sulfoxide at 23℃; for 24h; Schlenk technique; Inert atmosphere; Irradiation; Sealed tube;	A 58% B n/a

2-(Trifluoromethyl)pyridine Specification

The 2-Trifluoromethylpyridine is an organic compound with the formula C₆H₄F₃N. The IUPAC name of this chemical is 2-(trifluoromethyl)pyridine. With the CAS registry number 368-48-9, it is also named as Pyridine, 2-(trifluoromethyl)-. The product's categories are pharmacetical; Pyridines; Pyridine.

Physical properties about 2-Trifluoromethylpyridine are: (1)ACD/LogP: 1.30; (2)ACD/LogD (pH 5.5): 1.3; (3)ACD/LogD (pH 7.4): 1.3; (4)ACD/BCF (pH 5.5): 5.71; (5)ACD/BCF (pH 7.4): 5.71; (6)ACD/KOC (pH 5.5): 121.06; (7)ACD/KOC (pH 7.4): 121.06; (8)#H bond acceptors: 1 ; (9)Polar Surface Area: 12.89 Å²; (10)Index of Refraction: 1.418; (11)Molar Refractivity: 29.32 cm³; (12)Molar Volume: 116.1 cm³; (13)Polarizability: 11.62×10^-24cm³; (14)Surface Tension: 24.5 dyne/cm; (15)Density: 1.266 g/cm³; (16)Flash Point: 23.5 °C; (17)Enthalpy of Vaporization: 33.9 kJ/mol; (18)Boiling Point: 115.3 °C at 760 mmHg; (19)Vapour Pressure: 22.8 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-iodo-pyridine and bis-trifluoromethyl-mercury. This reaction will need reagent Cu, Dimethylacetamide. The yield is about 74%.

Uses of 2-Trifluoromethylpyridine: it can be used to produce 6-trifluoromethyl-pyridine-2-carboxylic acid at temperature of -75 °C. It will need reagent 2-(dimethylamino)ethanol, butyllithium and solvent diethyl ether, hexane with reaction time of 2 hours. The yield is about 71%.

When you are using this chemical, please be cautious about it as the following:
It is flammable. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and keep away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ncccc1
(2)InChI: InChI=1/C6H4F3N/c7-6(8,9)5-3-1-2-4-10-5/h1-4H
(3)InChIKey: ATRQECRSCHYSNP-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C6H4F3N/c7-6(8,9)5-3-1-2-4-10-5/h1-4H
(5)Std. InChIKey: ATRQECRSCHYSNP-UHFFFAOYSA-N

Product Name

2-(Trifluoromethyl)pyridine

Synthetic route

2-(Trifluoromethyl)pyridine Specification

Related Products

Hot Products