4-Fluorobenzylamine supplier

Name
4-Fluorobenzylamine
EINECS 205-430-4
CAS No. 140-75-0
Article Data101
CAS DataBase
Density 1.101 g/cm³
Solubility Soluble in water.
Melting Point 183 °C
Formula C₇H₈FN
Boiling Point 184.3 °C at 760 mmHg
Molecular Weight 125.146
Flash Point 73.3 °C
Transport Information UN 2735 8/PG 2
Appearance Colorless to light yellow liquid
Safety 26-27-36/37/39-45
Risk Codes 34-20/21/22
Molecular Structure
Hazard Symbols C,Xi
Synonyms Benzylamine,p-fluoro- (7CI,8CI);(4-Fluorophenyl)methanamine;1-(4-Fluorophenyl)methanamine;4-Fluorobenzenemethanamine;NSC 158269;[(4-Fluorophenyl)methyl]amine;p-Fluorobenzylamine;
PSA 26.02000
LogP 1.98470

Synthetic route

: 1194-02-1
4-fluorobenzonitrile

: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With hydrogen; aluminum oxide; silica gel; nickel In methanol; ammonia at 120℃; under 7600 Torr; for 6h;	100%
With sodium tetrahydroborate In water at 25℃; for 2h; pH=5.5;	99%
With C28H29Cl2CoNP2; hydrogen; sodium triethylborohydride In 1,4-dioxane at 80℃; under 37503.8 Torr; for 6h;	99%

: 459-57-4
4-fluorobenzaldehyde

: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With ammonia; hydrogen In methanol at 89.84℃; under 30003 Torr; for 3h;	96%
With ammonia; hydrogen In methanol at 30℃; for 24h; Autoclave;	92%
With Candida boidinii formate dehydrogenase; Geobacillus stearothermophilus ε‐deaminating L‐lysine dehydrogenase variant 25; nicotinamide adenine dinucleotide In aq. buffer at 30℃; for 24h; pH=8.5; Reagent/catalyst; Enzymatic reaction;	91%

: 318-49-0
2-(4-fluorobenzyl)isoindoline-1,3-dione

: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With p-tolyl phenylacetate In dichloromethane at 46℃; for 5h; Temperature;	91%
With hydrazine hydrate In 1,4-dioxane at 110℃; Gabriel Amine Synthesis; Inert atmosphere;	79%
With sodium hydroxide

: 459-57-4
4-fluorobenzaldehyde

A: 459-56-3
4-fluorobenzylic alcohol

B: 932724-63-5
tris(4-fluorobenzyl)amine

C: 140-75-0
para-fluorobenzylamine

D: 100-46-9
benzylamine

E: 134227-41-1
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanamine

Conditions

Conditions	Yield
With ammonia; hydrogen; Ni/C catalyst In water at 120℃; under 28502.9 - 33753.4 Torr; for 17.5h;	A 1.2% B 1.4% C 90.7% D 0.4% E 1.8%

...Expand

: 459-57-4
4-fluorobenzaldehyde

A: 140-75-0
para-fluorobenzylamine

B: 134227-41-1
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanamine

Conditions

Conditions	Yield
With ammonium hydroxide; hydrogen In ethanol at 130℃; under 7500.75 Torr; for 12h; Autoclave;	A 85% B 7.5%

: 1194-02-1
4-fluorobenzonitrile

A: 140-75-0
para-fluorobenzylamine

B: 134227-41-1
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanamine

Conditions

Conditions	Yield
With C19H34Cl2CoN2P; hydrogen; sodium ethanolate; sodium triethylborohydride In benzene at 135℃; under 22502.3 Torr; for 36h; Autoclave;	A 83% B 10%

: 459-23-4
4-fluorobenzaldoxime

: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With hydrogenchloride; zinc In ethanol; water at 0 - 90℃; for 1h;	82%
Stage #1: 4-fluorobenzaldoxime With hydrogenchloride In ethanol; water at 20℃; for 0.25h; Stage #2: With zinc In ethanol; water for 1h; Reflux; Stage #3:	65%
With lithium borohydride In tetrahydrofuran for 8h; Heating;

: 352-11-4
1-chloromethyl-4-fluorobenzene

: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With hydrogenchloride; ammonium hydroxide; sodium hydroxide; benzaldehyde In diethyl ether	71%
(i) phthalimide, (ii) N2H4; Multistep reaction;

: 67-56-1
methanol

: 159979-96-1
4-fluorobenzyl azide

A: 702-11-4
4-fluoro-N,N-dimethylbenzylamine

B: 405-66-3
(4-Fluoro-benzyl)-methyl-amine

C: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With trans-RuCl(phenpyra-Me)(PPh3)2PF6; sodium hydroxide at 125℃; for 2.5h; Sealed tube; Inert atmosphere; Glovebox;	A 12 %Chromat. B 64% C 6 %Chromat.

...Expand

: 405-99-2
para-fluorostyrene

: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With D-glucose; E. coli LZ220; ammonia; oxygen; ammonium chloride In aq. phosphate buffer at 30℃; for 24h; pH=8; Green chemistry; Enzymatic reaction;	64%

: 159979-96-1
4-fluorobenzyl azide

: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With boron tribromide In dichloromethane; dimethyl sulfoxide at -10 - 50℃; for 2h; Inert atmosphere;	57%
With sodium tetrahydroborate In tetrahydrofuran; methanol for 3h; Reflux;

: 100-97-0
hexamethylenetetramine

: 352-11-4
1-chloromethyl-4-fluorobenzene

: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
anschliessend mit wss.-aethanol.HCl;

: 459-57-4
4-fluorobenzaldehyde

A: 459-56-3
4-fluorobenzylic alcohol

B: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With ammonium hydroxide; ammonium acetate; hydrogen; [Ru(cod)Cl]2; trisodium tris(3-sulfophenyl)phosphine In tetrahydrofuran at 135℃; under 48754.9 Torr; for 2h;	A 14 % Chromat. B 62 % Chromat.
With triethylsilane; ammonium hydroxide; hydrio-iridium(III) complex at 20℃;	A 82 % Spectr. B 18 % Spectr.

: 824-75-9
p-fluorobenzamide

A: 1194-02-1
4-fluorobenzonitrile

B: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With sodium tetrahydroborate; lithium chloride In diethylene glycol dimethyl ether at 162℃; for 2h;	A 30 % Chromat. B 6 % Chromat.
With sodium tetrahydroborate; lithium chloride In diethylene glycol dimethyl ether at 162℃; for 6h; Title compound not separated from byproducts.;	A 1 % Chromat. B 69 % Chromat.

: 462-06-6
fluorobenzene

: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: zinc chloride 2: aq. NaOH solution View Scheme

: 371-40-4
4-fluoroaniline

: 74-88-4
methyl iodide

: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide

: 540801-16-9
methyl N-(4-fluorobenzyl)carbamate

: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With lithium hydroxide In tetrahydrofuran; methanol at 120℃;

: 459-56-3
4-fluorobenzylic alcohol

A: 428819-12-9
N-(4-fluorobenzylidene)-1-(4-fluorophenyl)methanamine

B: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With carbonylchlorohydrido(4,5-bis((diisopropylphosphino)methyl)acridine)ruthenium(II); ammonia In toluene under 5700.38 Torr; for 24h; Inert atmosphere; Reflux;	A n/a B 91 %Chromat.
With ammonia; carbonylchlorohydrido(4,5-bis((diisopropylphosphino)methyl)acridine)ruthenium(II) In toluene under 5700.38 Torr; for 24h; Product distribution / selectivity; Reflux;

: 930045-10-6
1,3-bis(4-fluorobenzyl)urea

A: 67-56-1
methanol

B: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With [RuH(CO)(BPy-tPNN*)]; hydrogen In tetrahydrofuran at 110℃; under 10336.7 Torr; for 72h; chemoselective reaction;	A 58 %Chromat. B 59 %Chromat.

: 557-21-1
zinc(II) cyanide

: 460-00-4
1-Bromo-4-fluorobenzene

A: 1194-02-1
4-fluorobenzonitrile

B: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With [Pd2(dba)3]*benzene; PPh2(C6H4SO3K); zinc In N,N-dimethyl acetamide at 150℃; for 48h; chemoselective reaction;	A 73 %Chromat. B 6 %Chromat.

...Expand

: 824-75-9
p-fluorobenzamide

: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With 1,10-Phenanthroline; diethoxymethylane; iron(II) acetate In toluene at 100℃; for 28h; Inert atmosphere; chemoselective reaction;	63 %Chromat.

: 459-56-3
4-fluorobenzylic alcohol

: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetic acid; hydrogen bromide / 0.5 h / 0 °C 2: ammonia / ethanol; water / 4 h / 20 °C View Scheme

: 459-46-1
4-Fluorobenzyl bromide

: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With ammonia In ethanol; water at 20℃; for 4h;

: 210422-66-5
4-fluorobenzaldehyde p-toluenesulfonylhydrazone

: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: copper(l) iodide; caesium carbonate / 1,4-dioxane / 5 h / 110 °C / Inert atmosphere 2: hydrazine hydrate / 1,4-dioxane / 110 °C / Inert atmosphere View Scheme

: 170374-90-0
2,2,2-trifluoro-N-(4-fluorobenzyl)acetamide

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

B: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With [(iPr-PNP)Fe(H)(Br)(CO)]; hydrogen; potassium hexamethylsilazane In 1,4-dioxane at 140℃; under 45004.5 Torr; for 12h; Inert atmosphere;	A 61 %Chromat. B 62 %Chromat.

: 1-(4-fluorobenzyl)-3,4-di(naphthalen-2-yl)-1H-pyrrole-2,5-dione

: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water at 85℃; for 0.2h; Microwave irradiation;	39 mg

: C21H19FN2

: 100-46-9
benzylamine

A: C21H20N2

B: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
In dimethylsulfoxide-d6 Equilibrium constant;

...Expand

: C21H19FN2

: 109-73-9
N-butylamine

A: C18H22N2

B: 140-75-0
para-fluorobenzylamine

Conditions

Conditions	Yield
In dimethylsulfoxide-d6 Equilibrium constant;

...Expand

: 5470-18-8
2-Chloro-3-nitropyridine

: 140-75-0
para-fluorobenzylamine

: 73733-74-1
N-<(4-fluorophenyl)methyl>-3-nitro-2-pyridinamine

Conditions

Conditions	Yield
With caesium carbonate In 1,4-dioxane at 80℃; for 2h;	100%
With caesium carbonate In 1,4-dioxane at 100℃; for 2h;	94%
With sodium carbonate In N,N-dimethyl-formamide at 90℃; for 1h;	71%
With caesium carbonate In methanol Reflux;

: 32315-10-9
bis(trichloromethyl) carbonate

: 140-75-0
para-fluorobenzylamine

: 132740-43-3
4-fluorobenzylisocyanate

Conditions

Conditions	Yield
With triethylamine In dichloromethane	100%
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at -80℃;
With sodium hydrogencarbonate In dichloromethane; water at 0℃; for 2.5h;

: 459-57-4
4-fluorobenzaldehyde

: 140-75-0
para-fluorobenzylamine

: 428819-12-9
N-(4-fluorobenzylidene)-1-(4-fluorophenyl)methanamine

Conditions

Conditions	Yield
With magnesium sulfate In dichloromethane for 3h; Reflux;	100%
In benzene for 20h; Heating;
In toluene Reflux; Inert atmosphere; Dean-Stark;
Multi-step reaction with 2 steps 1: acetic acid; sodium tris(acetoxy)borohydride / 1,2-dichloro-ethane / 20 °C / Inert atmosphere 2: oxygen; [5,6]fullerene-C70 / chloroform; toluene / 8 h / Molecular sieve; Irradiation View Scheme

: ethyl acetate n-hexane

: 140-75-0
para-fluorobenzylamine

: 173043-75-9
(E)-ethyl 7-(tosyloxy)hept-2-enoate

: 174561-07-0
ethyl 2-[1-(p-fluorobenzyl)-2-piperidyl]acetate

Conditions

Conditions	Yield
In ethanol; water; triethylamine	100%

...Expand

: 652-39-1
3-fluorophthalic anhydride

: 140-75-0
para-fluorobenzylamine

: 935686-89-8
4-Fluoro-2-(4-fluoro-benzyl)-isoindole-1,3-dione

Conditions

Conditions	Yield
With acetic acid In toluene at 110℃; for 16h;	100%

: 1042070-13-2
C16H21NO7

: 140-75-0
para-fluorobenzylamine

: 1042070-09-6
C20H19FN2O5

Conditions

Conditions	Yield
In methanol at 20℃;	100%

: 73895-32-6
6-chloro-2-dimethylamino-3-nitropyridine

: 140-75-0
para-fluorobenzylamine

: 1160932-41-1
2-dimethylamino-6-(4-fluorobenzylamino)-3-nitropyridine

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 20℃; Heating / reflux;	100%
With triethylamine In acetonitrile at 20℃; Reflux;	81%

: 125173-52-6
6-chloro-2-(N,N-diethylamino)-3-nitropyridine

: 140-75-0
para-fluorobenzylamine

: 1160931-74-7
2-diethylamino-6-(4-fluoro-benzylamino)-3-nitro-pyridine

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 0 - 20℃; for 6h; Heating / reflux;	100%

: 92741-40-7
6-chloro-3-nitro-2-(pyrrolidin-1-yl)pyridine

: 140-75-0
para-fluorobenzylamine

: 1160933-82-3
(4-fluoro-benzyl)-(5-nitro-6-pyrrolidin-1-yl-pyridin-2-yl)-amine

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 0 - 80℃; Heating / reflux;	100%

: 1094918-91-8
6-chloro-2-(ethylmethylamino)-3-nitro-pyridine

: 140-75-0
para-fluorobenzylamine

: 1160930-35-7
2-ethylmethylamino-6-(4-fluoro-benzylamino)-3-nitro-pyridine

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 0 - 20℃; Heating / reflux;	100%

: 1094323-33-7
4-(6-chloro-3-nitropyridin-2-yl)morpholine

: 140-75-0
para-fluorobenzylamine

: 1228076-27-4
(4-fluorobenzyl)(6-(morpholin-4-yl)-5-nitropyridin-2-yl)amine

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 80℃;	100%
With triethylamine In acetonitrile at 80℃;	100%
With triethylamine In dimethyl sulfoxide at 100℃; for 2h; Microwave irradiation;

: 1221728-44-4
4-[3,6-bis[[4-(dimethylamino)phenyl]ethynyl]-9H-carbazol-9-yl]benzaldehyde

: 140-75-0
para-fluorobenzylamine

: C46H37FN4

Conditions

Conditions	Yield
In tetrahydrofuran; ethanol for 6h; Reflux; Inert atmosphere;	100%

: 1221728-45-5
4-[3,6-bis(phenylethynyl)-9H-carbazol-9-yl]benzaldehyde

: 140-75-0
para-fluorobenzylamine

: C42H27FN2

Conditions

Conditions	Yield
In tetrahydrofuran; ethanol for 6h; Reflux; Inert atmosphere;	100%

: 140-75-0
para-fluorobenzylamine

: 110677-45-7
N-(4-formylphenyl)carbazole

: C26H19FN2

Conditions

Conditions	Yield
In tetrahydrofuran; ethanol for 6h; Reflux; Inert atmosphere;	100%

: 55687-02-0
6-bromo-2-chloro-quinoxaline

: 140-75-0
para-fluorobenzylamine

: 1257089-94-3
(6-bromo-quinoxalin-2-yl)(4-fluoro-benzyl)amine

Conditions

Conditions	Yield
In dimethyl sulfoxide at 20℃;	100%

: 140-75-0
para-fluorobenzylamine

: 428819-12-9
N-(4-fluorobenzylidene)-1-(4-fluorophenyl)methanamine

Conditions

Conditions	Yield
With oxygen; 2Co(2+)2C12H6O4(2-)C34H12Cl4N4O4*4C3H7NO In N,N-dimethyl-formamide at 40℃; for 6h; Irradiation;	100%
In neat (no solvent) at 100℃; for 10h; Catalytic behavior; Reagent/catalyst; Molecular sieve;	99%
With C31H23ClIrN6; oxygen In acetonitrile at 20℃; for 3h; Irradiation; Molecular sieve;	99%

: 75-15-0
carbon disulfide

: 140-75-0
para-fluorobenzylamine

: 2740-88-7
4-fluorobenzylisothiocyanate

Conditions

Conditions	Yield
Stage #1: carbon disulfide; para-fluorobenzylamine In diethyl ether for 0.25h; Cooling with ice; Stage #2: With dicyclohexyl-carbodiimide In diethyl ether at 20℃; for 24h;	100%
Stage #1: carbon disulfide; para-fluorobenzylamine With triethylamine In ethanol at 20℃; for 1h; Stage #2: With dmap; di-tert-butyl dicarbonate at 0 - 20℃; for 4h;	96%
Stage #1: carbon disulfide; para-fluorobenzylamine With triethylamine In tetrahydrofuran at 0℃; Stage #2: With p-toluenesulfonyl chloride In tetrahydrofuran at 20℃;	76.2%

: 4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzoic acid

: 140-75-0
para-fluorobenzylamine

: N-(4-fluorobenzyl)-4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzamide

Conditions

Conditions	Yield
Stage #1: 4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzoic acid 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 Stage #2: para-fluorobenzylamine In N,N-dimethyl-formamide at 20℃; for 18h;	100%

: methyl 1H-imidazole-1-carbonylcarbamimidothioate

: 140-75-0
para-fluorobenzylamine

: 910114-63-5
methyl N-({[(4-fluorobenzen-1-yl)methyl]amino}carbonyl)carbamimidothioate

Conditions

Conditions	Yield
In tetrahydrofuran for 0.5h; Reflux;	100%
In tetrahydrofuran for 0.5h; Reflux;	100%

: 931105-37-2
methyl 5-bromo-2-fluoropyridine-3-carboxylate

: 140-75-0
para-fluorobenzylamine

: methyl 5-bromo-2-{[(4-fluorophenyl)methyl]amino}pyridine-3-carboxylate

Conditions

Conditions	Yield
In dimethyl sulfoxide at 100℃; for 15h;	100%

: 32315-10-9
bis(trichloromethyl) carbonate

: 1408075-34-2
1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-piperidin-4-amine

: 140-75-0
para-fluorobenzylamine

: 3-{1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-piperidin-4-yl}-1-[(4-fluorophenyl)methyl]urea

Conditions

Conditions	Yield
Stage #1: bis(trichloromethyl) carbonate; 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-piperidin-4-amine With sodium hydrogencarbonate In dichloromethane at 20℃; for 1.16667h; Stage #2: para-fluorobenzylamine With triethylamine In tetrahydrofuran at 20℃; for 15h;	100%

...Expand

: 27048-04-0
2-amino-6-chloro-3-nitropyridine

: 140-75-0
para-fluorobenzylamine

: 33400-49-6
2-amino-3-nitro-6-(p-fluoro-benzylamino)-pyridine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol for 3h; Reflux; Inert atmosphere;	99%
With triethylamine In isopropyl alcohol for 10h; Reflux;	98.8%
With triethylamine In methanol at 80℃; for 10h;	97.2%

: 459-57-4
4-fluorobenzaldehyde

: 140-75-0
para-fluorobenzylamine

: (E)-N-(4-fluorobenzylidene)-1-(4-fluorophenyl)methaneamine

Conditions

Conditions	Yield
With potassium carbonate In benzene at 20℃;	99%
In ethanol for 1h; Sonication;	98%
With potassium carbonate In benzene at 20℃;
In ethanol for 2h; Heating;

: 1186-67-0
2-bromomalonamide

: 140-75-0
para-fluorobenzylamine

: 1001165-40-7
2-(4-fluorobenzylamino)malonamide

Conditions

Conditions	Yield
With triethylamine In ethanol for 3h; Heating / reflux;	99%

: 859164-82-2
4-(3-cyclohexyl-indole-1-sulfonyl)-benzoic acid

: 140-75-0
para-fluorobenzylamine

: 4-(3-cyclohexyl-indole-1-sulfonyl)-N-(4-fluoro-benzyl)-benzamide

Conditions

Conditions	Yield
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine In dichloromethane at 20℃; for 16h;	99%

: 211693-73-1
2-amino-3,4-difluoronitro-benzene

: 140-75-0
para-fluorobenzylamine

: 1477492-11-7
2-fluoro-N1-(4-fluorobenzyl)-4-nitrobenzene-1,3-diamine.

Conditions

Conditions	Yield
With iodine; triethylamine In dimethyl sulfoxide at 23 - 100℃; for 3h; Time;	99%
With iodine; triethylamine In dimethyl sulfoxide at 120℃; for 24h; Inert atmosphere;	90%
With iodine; triethylamine In dimethyl sulfoxide at 120℃; for 24h;	62.5%

: 4548-45-2
2-chloro-5-nitropyridine

: 140-75-0
para-fluorobenzylamine

: N-(4-fluorobenzyl)-5-nitropyridin-2-amine

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol for 3h; Reflux; Inert atmosphere;	99%
With triethylamine In acetonitrile at 20℃; Reflux;	88%

: 91-02-1
phenyl(pyridin-2-yl)methanone

: 140-75-0
para-fluorobenzylamine

: 3-(4-fluorophenyl)-1-(phenyl)imidazo[1,5-a]pyridine

Conditions

Conditions	Yield
With iodine; sodium acetate In 1,2-dichloro-ethane for 4h; Reflux;	99%
With copper(II) acetate monohydrate In N,N-dimethyl-formamide at 110℃; for 8h;	91%
Stage #1: phenyl(pyridin-2-yl)methanone With manganese(IV) oxide; toluene-4-sulfonic acid at 20℃; for 0.25h; Inert atmosphere; Stage #2: para-fluorobenzylamine at 170℃; for 5.5h; Inert atmosphere; Microwave irradiation;	65%

: 91-63-4
2-methylquinoline

: 7677-24-9
trimethylsilyl cyanide

: 140-75-0
para-fluorobenzylamine

: 1-(4-fluorophenyl)imidazo[1,5-a]quinoline-3-carbonitrile

Conditions

Conditions	Yield
With oxygen; copper(II) sulfate In 1-methyl-pyrrolidin-2-one at 130℃; for 13h;	99%
With oxygen; copper(II) sulfate In 1-methyl-pyrrolidin-2-one at 130℃;	99%
With ammonium iodide; ammonium tetrafluoroborate In N,N-dimethyl acetamide at 90℃; for 15h; Electrolysis; Green chemistry;	98%

...Expand

4-Fluorobenzylamine Specification

The 4-Fluorobenzylamine, with the CAS registry number 140-75-0 and EINECS registry number 205-430-4, has the systematic name of 1-(4-fluorophenyl)methanamine. It is a kind of colorless to light yellow liquid, and belongs to the following product categories: Anilines, Aromatic Amines and Nitro Compounds; C7; Nitrogen Compounds. And the molecular formula of the chemical is C₇H₈FN. What's more, it is always used as intermediate in the pharmaceutical and pesticideindustry, such as astemizole.

The physical properties of 4-Fluorobenzylamine are as followings: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.88; (4)ACD/LogD (pH 7.4): -0.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.28; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 34.69 cm³; (15)Molar Volume: 113.6 cm³; (16)Polarizability: 13.75×10^-24cm³; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 1.101 g/cm³; (19)Flash Point: 73.3 °C; (20)Enthalpy of Vaporization: 42.05 kJ/mol; (21)Boiling Point: 184.3 °C at 760 mmHg; (22)Vapour Pressure: 0.738 mmHg at 25°C.

Synthesis method: Firstly, add hydrazine hydrate solution to the mixed solution of N-(4-fluorophenyl-methyl)phthalimide and anhydrous alcohol, heat to reflux for 1 hour. Secondly, add excess HCl to make it precipitated out, and then neutralize it with NaOH. After a series of extraction, drying, distillation, you can get the product.

You should be cautious while dealing with this chemical. It may cause burns, and it is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Take off immediately all contaminated clothing; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)CN
(2)InChI: InChI=1/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
(3)InChIKey: IIFVWLUQBAIPMJ-UHFFFAOYAL

Product Name

4-Fluorobenzylamine

Synthetic route

4-Fluorobenzylamine Specification

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