Benzene,1,3-difluoro-2-(trifluoromethyl)- supplier

Name
2,6-Difluorobenzotrifluoride
EINECS
CAS No. 64248-60-8
Article Data3
CAS DataBase
Density 1.386 g/cm³
Solubility
Melting Point
Formula C₇H₃F₅
Boiling Point 121 °C at 760 mmHg
Molecular Weight 182.093
Flash Point 32.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2,6-Difluorobenzotrifluoride;
PSA 0.00000
LogP 2.98360

Synthetic route

palladium on A-charcoal: palladium on A-charcoal

: 112860-78-3
3,5-dichloro-2,6-difluorobenzotrifluoride

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

Conditions

Conditions	Yield
With sodium acetate In water; acetic acid

: 5509-65-9
2,6-difluoroaniline

: 77152-08-0
trifluoromethylcopper(I)

A: 372-18-9
1,3-Difluorobenzene

B: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

Conditions

Conditions	Yield
Stage #1: 2,6-difluoroaniline With hydrogen fluoride; sodium nitrite In water; acetonitrile at 0℃; Inert atmosphere; Stage #2: trifluoromethylcopper(I) In water; N,N-dimethyl-formamide; acetonitrile at 0℃; for 0.25h; Inert atmosphere; Overall yield = 27 %Spectr.;

...Expand

: 110-85-0
piperazine

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: 946399-80-0
1-(3-fluoro-2-(trifluoromethyl)phenyl)piperazine

Conditions

Conditions	Yield
at 90℃; for 16h;	73.4%

: 124-38-9
carbon dioxide

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: 2,4-difluoro-3-(trifluoromethyl)benzoic acid

Conditions

Conditions	Yield
Stage #1: 1,3-difluoro-2-(trifluoromethyl)benzene With n-butyllithium In tetrahydrofuran; diethyl ether at -70 - -65℃; for 1h; Stage #2: carbon dioxide In tetrahydrofuran; diethyl ether at -65 - 30℃; for 5h; Stage #3: With hydrogenchloride In tetrahydrofuran; diethyl ether; water	72%

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: 952233-12-4
(3-Fluoro-2-trifluoromethyl-phenyl)-hydrazine hydrochloride

Conditions

Conditions	Yield
With hydrazine In dimethyl sulfoxide at 20℃; for 16h;	67%

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

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

: 2,4-difluoro-3-(trifluoromethyl)benzaldehyde

Conditions

Conditions	Yield
Stage #1: 1,3-difluoro-2-(trifluoromethyl)benzene With n-butyllithium In tetrahydrofuran; cyclohexane at -70℃; for 0.5h; Inert atmosphere; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran; cyclohexane at -70℃; for 2h;	65%

: 288-32-4
1H-imidazole

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: C13H9F3N4

Conditions

Conditions	Yield
With potassium phosphate In N,N-dimethyl-formamide at 135℃; for 72h;	40%

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: 2,3-dihydroimidazo[1,2-c]quinazolin-9-ol

: 9-(3-fluoro-2-(trifluoromethyl)phenoxy)-2,3-dihydroimidazo[1,2-c]quinazoline

Conditions

Conditions	Yield
Stage #1: 1,3-difluoro-2-(trifluoromethyl)benzene With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 0.5h; Stage #2: 2,3-dihydroimidazo[1,2-c]quinazolin-9-ol In N,N-dimethyl-formamide; mineral oil at 20℃;	37%

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: 123973-36-4
1,3-difluoro-4-nitro-2-(trifluoromethyl)benzene

Conditions

Conditions	Yield
With sulfuric acid; nitric acid
With sulfuric acid; nitric acid In dichloromethane

: 1217349-81-9
5-(benzyloxy)-3H-imidazo[4,5-b]pyridine

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: 1217350-42-9
5-(benzyloxy)-3-(3-fluoro-2-(trifluoromethyl)phenyl)-3H-imidazo[4,5-b]pyridine

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 80℃;

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: 957125-35-8
4-[2,4-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: iron / 0.08 h / 50 - 55 °C 1.2: 2 h / 50 - 70 °C 2.1: magnesium / tetrahydrofuran / 1 h / 60 - 65 °C 2.2: 0.5 h / 25 - 30 °C 2.3: 1 h / 20 °C 3.1: bromine; acetic acid / 0.5 h / 55 - 60 °C 3.2: 85 - 90 °C View Scheme
Multi-step reaction with 5 steps 1.1: n-butyllithium / tetrahydrofuran; diethyl ether / 1 h / -70 - -65 °C 1.2: 5 h / -65 - 30 °C 2.1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 20 °C 3.1: triethylamine / dichloromethane / 1 h 3.2: 2 h 4.1: tetrahydrofuran / 2 h / 20 °C 5.1: bromine; acetic acid / 0.5 h / 55 - 60 °C 5.2: 85 - 90 °C View Scheme

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: 157337-87-6
2,4-difluoro-3-trifluoromethylbenzoyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran; diethyl ether / 1 h / -70 - -65 °C 1.2: 5 h / -65 - 30 °C 2.1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 20 °C View Scheme

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: 2,4-difluoro-N-methoxy-N-methyl-3-(trifluoromethyl)benzamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: n-butyllithium / tetrahydrofuran; diethyl ether / 1 h / -70 - -65 °C 1.2: 5 h / -65 - 30 °C 2.1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 20 °C 3.1: triethylamine / dichloromethane / 1 h 3.2: 2 h View Scheme

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: potassium N-{4-[2,4-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl)acetamide

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: iron / 0.08 h / 50 - 55 °C 1.2: 2 h / 50 - 70 °C 2.1: magnesium / tetrahydrofuran / 1 h / 60 - 65 °C 2.2: 0.5 h / 25 - 30 °C 2.3: 1 h / 20 °C 3.1: bromine; acetic acid / 0.5 h / 55 - 60 °C 3.2: 85 - 90 °C 4.1: dichloromethane / 0.08 h / 0 - 5 °C / Large scale 4.2: 0.5 h / Large scale 4.3: 3 h / 0 - 5 °C / Large scale 5.1: potassium tert-butylate / tert-butyl alcohol; pentane / 1 h / -5 - 0 °C / Inert atmosphere View Scheme
Multi-step reaction with 5 steps 1.1: iron / 0.08 h / 50 - 55 °C 1.2: 2 h / 50 - 70 °C 2.1: magnesium / tetrahydrofuran / 1 h / 60 - 65 °C 2.2: 0.5 h / 25 - 30 °C 2.3: 1 h / 20 °C 3.1: bromine; acetic acid / 0.5 h / 55 - 60 °C 3.2: 85 - 90 °C 4.1: sodium hydride / tetrahydrofuran; mineral oil / 0.5 h / 20 °C 4.2: 24 h / Reflux 5.1: potassium tert-butylate / tert-butyl alcohol; pentane / 1 h / -5 - 0 °C / Inert atmosphere View Scheme
Multi-step reaction with 5 steps 1.1: iron / 0.08 h / 50 - 55 °C 1.2: 2 h / 50 - 70 °C 2.1: magnesium / tetrahydrofuran / 1 h / 60 - 65 °C 2.2: 0.5 h / 25 - 30 °C 2.3: 1 h / 20 °C 3.1: bromine; acetic acid / 0.5 h / 55 - 60 °C 3.2: 85 - 90 °C 4.1: sodium hydride / toluene; mineral oil / 20 °C 4.2: 48 h / Reflux 5.1: potassium tert-butylate / tert-butyl alcohol; pentane / 1 h / -5 - 0 °C / Inert atmosphere View Scheme

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: 1-bromo-2,4-difluoro-3-(trifluoromethyl)benzene

Conditions

Conditions	Yield
Stage #1: 1,3-difluoro-2-(trifluoromethyl)benzene With iron at 50 - 55℃; for 0.0833333h; Stage #2: With bromine at 50 - 70℃; for 2h;	130 g

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: N-{4-[2,4-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}-4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)thio]-3-oxobutanamide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: iron / 0.08 h / 50 - 55 °C 1.2: 2 h / 50 - 70 °C 2.1: magnesium / tetrahydrofuran / 1 h / 60 - 65 °C 2.2: 0.5 h / 25 - 30 °C 2.3: 1 h / 20 °C 3.1: bromine; acetic acid / 0.5 h / 55 - 60 °C 3.2: 85 - 90 °C 4.1: sodium hydride / toluene; mineral oil / 0.5 h / 20 °C 4.2: 24 h / Reflux View Scheme
Multi-step reaction with 6 steps 1.1: n-butyllithium / tetrahydrofuran; diethyl ether / 1 h / -70 - -65 °C 1.2: 5 h / -65 - 30 °C 2.1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 20 °C 3.1: triethylamine / dichloromethane / 1 h 3.2: 2 h 4.1: tetrahydrofuran / 2 h / 20 °C 5.1: bromine; acetic acid / 0.5 h / 55 - 60 °C 5.2: 85 - 90 °C 6.1: sodium hydride / toluene; mineral oil / 0.5 h / 20 °C 6.2: 24 h / Reflux View Scheme

Yield

Multi-step reaction with 4 steps
1.1: iron / 0.08 h / 50 - 55 °C
1.2: 2 h / 50 - 70 °C
2.1: magnesium / tetrahydrofuran / 1 h / 60 - 65 °C
2.2: 0.5 h / 25 - 30 °C
2.3: 1 h / 20 °C
3.1: bromine; acetic acid / 0.5 h / 55 - 60 °C
3.2: 85 - 90 °C
4.1: sodium hydride / toluene; mineral oil / 0.5 h / 20 °C
4.2: 24 h / Reflux
View Scheme

Multi-step reaction with 6 steps
1.1: n-butyllithium / tetrahydrofuran; diethyl ether / 1 h / -70 - -65 °C
1.2: 5 h / -65 - 30 °C
2.1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 20 °C
3.1: triethylamine / dichloromethane / 1 h
3.2: 2 h
4.1: tetrahydrofuran / 2 h / 20 °C
5.1: bromine; acetic acid / 0.5 h / 55 - 60 °C
5.2: 85 - 90 °C
6.1: sodium hydride / toluene; mineral oil / 0.5 h / 20 °C
6.2: 24 h / Reflux
View Scheme

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: 1246761-03-4
N-{4-[2,4-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl)acetamide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: iron / 0.08 h / 50 - 55 °C 1.2: 2 h / 50 - 70 °C 2.1: magnesium / tetrahydrofuran / 1 h / 60 - 65 °C 2.2: 0.5 h / 25 - 30 °C 2.3: 1 h / 20 °C 3.1: bromine; acetic acid / 0.5 h / 55 - 60 °C 3.2: 85 - 90 °C 4.1: dichloromethane / 0.08 h / 0 - 5 °C / Large scale 4.2: 0.5 h / Large scale 4.3: 3 h / 0 - 5 °C / Large scale View Scheme
Multi-step reaction with 4 steps 1.1: iron / 0.08 h / 50 - 55 °C 1.2: 2 h / 50 - 70 °C 2.1: magnesium / tetrahydrofuran / 1 h / 60 - 65 °C 2.2: 0.5 h / 25 - 30 °C 2.3: 1 h / 20 °C 3.1: bromine; acetic acid / 0.5 h / 55 - 60 °C 3.2: 85 - 90 °C 4.1: sodium hydride / tetrahydrofuran; mineral oil / 0.5 h / 20 °C 4.2: 24 h / Reflux View Scheme
Multi-step reaction with 4 steps 1.1: iron / 0.08 h / 50 - 55 °C 1.2: 2 h / 50 - 70 °C 2.1: magnesium / tetrahydrofuran / 1 h / 60 - 65 °C 2.2: 0.5 h / 25 - 30 °C 2.3: 1 h / 20 °C 3.1: bromine; acetic acid / 0.5 h / 55 - 60 °C 3.2: 85 - 90 °C 4.1: sodium hydride / toluene; mineral oil / 20 °C 4.2: 48 h / Reflux View Scheme

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: N-{4-[2,4-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl)acetamide sodium

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: iron / 0.08 h / 50 - 55 °C 1.2: 2 h / 50 - 70 °C 2.1: magnesium / tetrahydrofuran / 1 h / 60 - 65 °C 2.2: 0.5 h / 25 - 30 °C 2.3: 1 h / 20 °C 3.1: bromine; acetic acid / 0.5 h / 55 - 60 °C 3.2: 85 - 90 °C 4.1: dichloromethane / 0.08 h / 0 - 5 °C / Large scale 4.2: 0.5 h / Large scale 4.3: 3 h / 0 - 5 °C / Large scale 5.1: sodium t-butanolate / ethanol / 1 h / -5 - 0 °C / Inert atmosphere View Scheme
Multi-step reaction with 5 steps 1.1: iron / 0.08 h / 50 - 55 °C 1.2: 2 h / 50 - 70 °C 2.1: magnesium / tetrahydrofuran / 1 h / 60 - 65 °C 2.2: 0.5 h / 25 - 30 °C 2.3: 1 h / 20 °C 3.1: bromine; acetic acid / 0.5 h / 55 - 60 °C 3.2: 85 - 90 °C 4.1: sodium hydride / toluene; mineral oil / 20 °C 4.2: 48 h / Reflux 5.1: sodium t-butanolate / ethanol / 1 h / -5 - 0 °C / Inert atmosphere View Scheme
Multi-step reaction with 5 steps 1.1: iron / 0.08 h / 50 - 55 °C 1.2: 2 h / 50 - 70 °C 2.1: magnesium / tetrahydrofuran / 1 h / 60 - 65 °C 2.2: 0.5 h / 25 - 30 °C 2.3: 1 h / 20 °C 3.1: bromine; acetic acid / 0.5 h / 55 - 60 °C 3.2: 85 - 90 °C 4.1: sodium hydride / tetrahydrofuran; mineral oil / 0.5 h / 20 °C 4.2: 24 h / Reflux 5.1: sodium t-butanolate / ethanol / 1 h / -5 - 0 °C / Inert atmosphere View Scheme

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: lithium N-{4-[2,4-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl)acetamide

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: iron / 0.08 h / 50 - 55 °C 1.2: 2 h / 50 - 70 °C 2.1: magnesium / tetrahydrofuran / 1 h / 60 - 65 °C 2.2: 0.5 h / 25 - 30 °C 2.3: 1 h / 20 °C 3.1: bromine; acetic acid / 0.5 h / 55 - 60 °C 3.2: 85 - 90 °C 4.1: dichloromethane / 0.08 h / 0 - 5 °C / Large scale 4.2: 0.5 h / Large scale 4.3: 3 h / 0 - 5 °C / Large scale 5.1: lithium hydroxide monohydrate / ethanol / 1 h / -5 - 0 °C / Inert atmosphere View Scheme
Multi-step reaction with 5 steps 1.1: iron / 0.08 h / 50 - 55 °C 1.2: 2 h / 50 - 70 °C 2.1: magnesium / tetrahydrofuran / 1 h / 60 - 65 °C 2.2: 0.5 h / 25 - 30 °C 2.3: 1 h / 20 °C 3.1: bromine; acetic acid / 0.5 h / 55 - 60 °C 3.2: 85 - 90 °C 4.1: sodium hydride / toluene; mineral oil / 20 °C 4.2: 48 h / Reflux 5.1: lithium hydroxide monohydrate / ethanol / 1 h / -5 - 0 °C / Inert atmosphere View Scheme
Multi-step reaction with 5 steps 1.1: iron / 0.08 h / 50 - 55 °C 1.2: 2 h / 50 - 70 °C 2.1: magnesium / tetrahydrofuran / 1 h / 60 - 65 °C 2.2: 0.5 h / 25 - 30 °C 2.3: 1 h / 20 °C 3.1: bromine; acetic acid / 0.5 h / 55 - 60 °C 3.2: 85 - 90 °C 4.1: sodium hydride / tetrahydrofuran; mineral oil / 0.5 h / 20 °C 4.2: 24 h / Reflux 5.1: lithium hydroxide monohydrate / ethanol / 1 h / -5 - 0 °C / Inert atmosphere View Scheme

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: 1-[2,4-difluoro-3-(trifluoromethyl)phenyl]ethanone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: iron / 0.08 h / 50 - 55 °C 1.2: 2 h / 50 - 70 °C 2.1: magnesium / tetrahydrofuran / 1 h / 60 - 65 °C 2.2: 0.5 h / 25 - 30 °C 2.3: 1 h / 20 °C View Scheme
Multi-step reaction with 4 steps 1.1: n-butyllithium / tetrahydrofuran; diethyl ether / 1 h / -70 - -65 °C 1.2: 5 h / -65 - 30 °C 2.1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 20 °C 3.1: triethylamine / dichloromethane / 1 h 3.2: 2 h 4.1: tetrahydrofuran / 2 h / 20 °C View Scheme

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: methyl 2-((3-fluoro-6-formyl-2-(trifluoromethyl)phenyl)thio)acetate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran; cyclohexane / 0.5 h / -70 °C / Inert atmosphere 1.2: 2 h / -70 °C 2.1: triethylamine / dichloromethane / -50 - 20 °C View Scheme

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: methyl 6-fluoro-7-(trifluoromethyl)benzo[b]thiophene-2-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: n-butyllithium / tetrahydrofuran; cyclohexane / 0.5 h / -70 °C / Inert atmosphere 1.2: 2 h / -70 °C 2.1: triethylamine / dichloromethane / -50 - 20 °C 3.1: potassium carbonate / N,N-dimethyl-formamide / 40 °C View Scheme

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: 6-fluoro-7-(trifluoromethyl)benzo[b]thiophene-2-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: n-butyllithium / tetrahydrofuran; cyclohexane / 0.5 h / -70 °C / Inert atmosphere 1.2: 2 h / -70 °C 2.1: triethylamine / dichloromethane / -50 - 20 °C 3.1: potassium carbonate / N,N-dimethyl-formamide / 40 °C 4.1: lithium hydroxide monohydrate; water / methanol / 5 h / 40 °C 4.2: pH 3 View Scheme

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: ethyl 6-(2,4-difluoro-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)-2-2’-bipyridine-4’-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran; toluene / 1 h / -78 °C / Inert atmosphere 1.2: 16 h / 20 °C / Inert atmosphere 2.1: sodium carbonate; tetrakis(triphenylphosphine) palladium(0) / tetrahydrofuran; water / 16 h / 70 °C / Inert atmosphere View Scheme

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: ruthenium(II) bis(diethyl 6-(2,4-difluoro-3-(trifluoromethyl)phenyl)-2,2'-bipyridine-4,4'-dicarboxylate)

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: n-butyllithium / tetrahydrofuran; toluene / 1 h / -78 °C / Inert atmosphere 1.2: 16 h / 20 °C / Inert atmosphere 2.1: sodium carbonate; tetrakis(triphenylphosphine) palladium(0) / tetrahydrofuran; water / 16 h / 70 °C / Inert atmosphere 3.1: propyl cyanide; N-ethylmorpholine; / 16 h / 120 °C / Inert atmosphere 3.2: 2 h / 200 °C / Inert atmosphere View Scheme
Multi-step reaction with 4 steps 1.1: n-butyllithium / tetrahydrofuran; toluene / 1 h / -78 °C / Inert atmosphere 1.2: 16 h / 20 °C / Inert atmosphere 2.1: sodium carbonate; tetrakis(triphenylphosphine) palladium(0) / tetrahydrofuran; water / 16 h / 70 °C / Inert atmosphere 3.1: potassium hydroxide / 72 h / Reflux; Inert atmosphere 4.1: N-ethylmorpholine; / ethanol / 16 h / Reflux View Scheme

Yield

Multi-step reaction with 3 steps
1.1: n-butyllithium / tetrahydrofuran; toluene / 1 h / -78 °C / Inert atmosphere
1.2: 16 h / 20 °C / Inert atmosphere
2.1: sodium carbonate; tetrakis(triphenylphosphine) palladium(0) / tetrahydrofuran; water / 16 h / 70 °C / Inert atmosphere
3.1: propyl cyanide; N-ethylmorpholine; / 16 h / 120 °C / Inert atmosphere
3.2: 2 h / 200 °C / Inert atmosphere
View Scheme

Multi-step reaction with 4 steps
1.1: n-butyllithium / tetrahydrofuran; toluene / 1 h / -78 °C / Inert atmosphere
1.2: 16 h / 20 °C / Inert atmosphere
2.1: sodium carbonate; tetrakis(triphenylphosphine) palladium(0) / tetrahydrofuran; water / 16 h / 70 °C / Inert atmosphere
3.1: potassium hydroxide / 72 h / Reflux; Inert atmosphere
4.1: N-ethylmorpholine; / ethanol / 16 h / Reflux
View Scheme

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: ruthenium(II) bis(ethyl 6-(2,4-difluoro-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)-2-2’-bipyridine-4’-carboxylate)

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: n-butyllithium / tetrahydrofuran; toluene / 1 h / -78 °C / Inert atmosphere 1.2: 16 h / 20 °C / Inert atmosphere 2.1: sodium carbonate; tetrakis(triphenylphosphine) palladium(0) / tetrahydrofuran; water / 16 h / 70 °C / Inert atmosphere 3.1: propyl cyanide; N-ethylmorpholine; / 16 h / 120 °C / Inert atmosphere 3.2: 2 h / 200 °C / Inert atmosphere View Scheme

Yield

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: ruthenium(II) bis(6-(2,4-difluoro-3-(trifluoromethyl)phenyl)-4,4’-bis(trifluoromethyl)-2,2’-bipyridine)

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: n-butyllithium / tetrahydrofuran; toluene / 1 h / -78 °C / Inert atmosphere 1.2: 16 h / 20 °C / Inert atmosphere 2.1: sodium carbonate; tetrakis(triphenylphosphine) palladium(0) / tetrahydrofuran; water / 16 h / 70 °C / Inert atmosphere 3.1: propyl cyanide; N-ethylmorpholine; / 16 h / 120 °C / Inert atmosphere 3.2: 2 h / 200 °C / Inert atmosphere View Scheme

Yield

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: diethyl 6-(2,4-difluoro-3-(trifluoromethyl)phenyl)-2,2'-bipyridine-4,4'-dicarboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran; toluene / 1 h / -78 °C / Inert atmosphere 1.2: 16 h / 20 °C / Inert atmosphere 2.1: sodium carbonate; tetrakis(triphenylphosphine) palladium(0) / tetrahydrofuran; water / 16 h / 70 °C / Inert atmosphere View Scheme

: 64248-60-8
1,3-difluoro-2-(trifluoromethyl)benzene

: C29H25F5N5O4Ru(1+)*F6P(1-)

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: n-butyllithium / tetrahydrofuran; toluene / 1 h / -78 °C / Inert atmosphere 1.2: 16 h / 20 °C / Inert atmosphere 2.1: sodium carbonate; tetrakis(triphenylphosphine) palladium(0) / tetrahydrofuran; water / 16 h / 70 °C / Inert atmosphere 3.1: potassium hydroxide / 72 h / Reflux; Inert atmosphere View Scheme

Benzene,1,3-difluoro-2-(trifluoromethyl)- Specification

The Benzene,1,3-difluoro-2-(trifluoromethyl)-, with the CAS registry number 64248-60-8, is also known as 2,6-Difluorobenzotrifluoride. This chemical's molecular formula is C₇H₃F₅ and molecular weight is 182.0907. Its systematic name is called 1,3-difluoro-2-(trifluoromethyl)benzene. When you are using this chemical, please be cautious about it, it may cause inflammation to the skin or other mucous membranes.

Physical properties of Benzene,1,3-difluoro-2-(trifluoromethyl)-: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 107.8; (6)ACD/BCF (pH 7.4): 107.8; (7)ACD/KOC (pH 5.5): 992.12; (8)ACD/KOC (pH 7.4): 992.12; (9)Index of Refraction: 1.391; (10)Molar Refractivity: 31.22 cm³; (11)Molar Volume: 131.3 cm³; (12)Surface Tension: 20.2 dyne/cm; (13)Density: 1.386 g/cm³; (14)Flash Point: 32.7 °C; (15)Enthalpy of Vaporization: 34.43 kJ/mol; (16)Boiling Point: 121 °C at 760 mmHg; (17)Vapour Pressure: 17.8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1c(F)cccc1F
(2)InChI: InChI=1/C7H3F5/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
(3)InChIKey: NKKFHDNJRMWBFS-UHFFFAOYAK

Product Name

2,6-Difluorobenzotrifluoride

Synthetic route

Benzene,1,3-difluoro-2-(trifluoromethyl)- Specification

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