piperazine
tri-tert-butyl phosphine
1-Bromo-4-fluorobenzene
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
palladium diacetate In o-xylene; water | 95% |
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); 2-dicyclohexylphosphino-2′,6′-di-i-propoxy-1,1′-biphenyl; sodium t-butanolate In 1,4-dioxane at 100℃; for 0.166667h; Temperature; | 88% |
With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate; ruphos In 1,4-dioxane at 100℃; for 1h; Buchwald-Hartwig Coupling; | 81.1% |
bis-(2-chloroethyl)amine hydrochloride
4-fluoroaniline
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
In various solvent(s) at 150℃; | 87% |
With toluene-4-sulfonic acid at 145℃; | |
With potassium iodide at 150℃; Inert atmosphere; |
tert-butyl 4-(4-fluorophenyl)piperazine-1-carboxylate
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
With trifluoroacetic acid In dichloromethane at 20℃; for 2h; | 83% |
Conditions | Yield |
---|---|
With hydrogen bromide; phenol for 0.5h; Heating; | 66% |
2-bromo-N(2-bromoethyl)-N-carbethoxy-ethanamine
4-fluoroaniline
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
With methanol; basic alumina (Waters Sep-Pak cartridge 51820) at 150℃; for 0.666667h; | 75 % Chromat. |
With methanol; aluminum oxide at 150℃; for 0.666667h; Product distribution; reaction of aniline derivatives with bis(2-bromoethyl)-N-(ethoxycarbonyl)amine on solid support; | 75 % Chromat. |
piperazine
1-Bromo-4-fluorobenzene
A
fluorobenzene
B
1-(4-Fluorophenyl)piperazine
C
1,4-bis-(4-fluoro-phenyl)-piperazine
Conditions | Yield |
---|---|
With sodium t-butanolate; palladium bis(dibenzylideneacetone)palladium(0); tri-tert-butyl phosphine In o-xylene at 120℃; Yield given. Yields of byproduct given; |
1-Bromo-4-fluorobenzene
A
fluorobenzene
B
1-(4-Fluorophenyl)piperazine
C
1,4-bis-(4-fluoro-phenyl)-piperazine
Conditions | Yield |
---|---|
With piperazine; sodium t-butanolate; palladium diacetate; tri-tert-butyl phosphine In o-xylene at 120℃; Yield given. Yields of byproduct given; |
Conditions | Yield |
---|---|
With dichlorobis(tri-O-tolylphosphine)palladium; sodium t-butanolate In toluene Heating; | |
Buchwald-Hartwig amination; | |
With palladium diacetate; Tri(p-tolyl)phosphine; sodium t-butanolate In toluene at 110℃; | |
Stage #1: piperazine With palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene at 20℃; for 0.25h; Buchwald-Hartwig Coupling; Inert atmosphere; Stage #2: 1-Bromo-4-fluorobenzene In toluene for 20h; Buchwald-Hartwig Coupling; Inert atmosphere; Reflux; |
Conditions | Yield |
---|---|
Stage #1: VersabeadsTM VO400-bound bis(chloroethyl)amine; 4-fluoroaniline With pyridine; potassium iodide at 100℃; for 66h; Stage #2: With potassium tert-butylate In 1,2-dimethoxyethane for 3h; Heating; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 58 percent / NaHCO3, HMPA / 1 h / 130 °C 2: 66 percent / 48percent aq. HBr, phenol / 0.5 h / Heating View Scheme |
tris-(o-tolyl)phosphine
1-Bromo-4-fluorobenzene
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
tris-(dibenzylideneacetone)dipalladium(0) |
cycl-isopropylidene malonate
2,3,4,6,7,8,9,10-octahydropyrimido<1,2-a>azepino
B
1-(4-Fluorophenyl)piperazine
1-t-Butoxycarbonylpiperazine
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
Stage #1: 1-t-Butoxycarbonylpiperazine; 1-halide-4-fluorobenzene Buchwald-Hartwig cross coupling; Stage #2: With hydrogenchloride In 1,4-dioxane |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: C20H28N4O2Pd(2+)*2BF4(1-); tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate / acetonitrile / 24 h 2: sodium thiosulfate; water / acetonitrile / 2 h / Sealed tube View Scheme |
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
With water; sodium thiosulfate In acetonitrile for 2h; Sealed tube; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; palladium diacetate; sodium t-butanolate / toluene / 8.83 h / 100 °C / Inert atmosphere 2: trifluoroacetic acid / dichloromethane / 2 h / 20 °C View Scheme |
(E)-11-(2-chloroethylidene)-6,11-dihydrodibenzoxepin-2-carboxylic acid methyl ester
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
In ethanol | 100% |
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In acetonitrile for 30h; Heating; | 100% |
1-(4-Fluorophenyl)piperazine
5-(3-chloropropyl)-1-methyl-1,4,5,6,7,8-hexahydro-pyrrolo[3,2-c]azepine-4,8-dione
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-methyl-1,4,5,6,7,8-hexahydropyrrolo[3,2-c]azepine-4,8-dione
Conditions | Yield |
---|---|
With potassium carbonate; sodium iodide In acetonitrile for 38h; Alkylation; Heating; | 100% |
With sodium iodide; sodium chloride; potassium carbonate In acetonitrile | 99% |
With sodium iodide; sodium chloride; potassium carbonate In acetonitrile | 99% |
With sodium iodide; potassium carbonate In acetonitrile | 99% |
1-(4-Fluorophenyl)piperazine
7-(4-bromobutyl)-1-methyl-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepine-4,8-dione
Conditions | Yield |
---|---|
With potassium carbonate; sodium iodide In acetonitrile for 14h; Heating; | 100% |
6-(2-hydroxyethyl)-2-(methylthio)-4-pyrimidinyl 4-methyl-1-benzenesulfonate
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
In tetrahydrofuran at 70℃; for 48h; | 100% |
Conditions | Yield |
---|---|
With triethylamine | 100% |
(R)-3-(7-methyl-1H-indazol-5-yl)-2-(4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carbonyloxy)propanoic acid
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In DMF (N,N-dimethyl-formamide); dichloromethane at 0℃; for 4h; | 100% |
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane; N,N-dimethyl-formamide |
2-(3-chloropropyl)-6-methyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-f][1,2]thiazepin-5-one 1,1-dioxide
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
With sodium iodide; potassium carbonate In acetonitrile | 100% |
Conditions | Yield |
---|---|
Heating; | 99% |
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
With potassium carbonate In 1,4-dioxane | 99% |
7-(dimethylamino)methyl-3-methyl-2-pyrrolidin-1-yl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
1-(4-Fluorophenyl)piperazine
7-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-2-pyrrolidin-1-yl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Conditions | Yield |
---|---|
In toluene at 110℃; for 3h; | 99% |
1-(4-Fluorophenyl)piperazine
(1R,4R)-1-((R)-2-(4-(4-fluorophenyl)piperazin-1-yl)-1-hydroxyethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Conditions | Yield |
---|---|
With lithium perchlorate In acetonitrile at 20 - 50℃; | 99% |
Conditions | Yield |
---|---|
With sodium cyanoborohydride; zinc(II) chloride In methanol at 75℃; for 27h; | 98.99% |
Conditions | Yield |
---|---|
With sodium cyanoborohydride; zinc(II) chloride In methanol at 75℃; for 96h; | 98.01% |
3-(2-bromoethyl)oxazolo<4,5-b>pyridin-2(3H)-one
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In acetonitrile at 60℃; for 12h; | 98% |
1-(4-Fluorophenyl)piperazine
α-hydroxymethylenedeoxyvasicin-4-one
Conditions | Yield |
---|---|
In chloroform Heating; various conditions; | 98% |
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 90℃; for 4h; | 98% |
N-(dihydro-3,3-diphenyl-2(3H)-furanylidene)-N-methylmethanaminium bromide
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
With sodium carbonate In N,N-dimethyl-formamide at 100℃; for 4h; | 98% |
Conditions | Yield |
---|---|
Stage #1: 1-(4-Fluorophenyl)piperazine With N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 0.5h; Inert atmosphere; Stage #2: 3,4-difluoronitrobenzene In acetonitrile Inert atmosphere; Reflux; | 98% |
With sodium hydrogencarbonate at 125℃; for 0.5h; Temperature; Microwave irradiation; | 90% |
With sodium hydrogencarbonate In neat (no solvent) at 125℃; for 0.5h; Microwave irradiation; Sealed tube; | 90% |
With N-ethyl-N,N-diisopropylamine |
2-(3-chloropropyl)-5-methoxy-3,4-dihydro-2H-1,2-benzothiazin-4-one 1,1-dioxide ethylene acetal
1-(4-Fluorophenyl)piperazine
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydro-2H-1,2-benzothiazin-4-one 1,1-dioxide ethylene acetal
Conditions | Yield |
---|---|
With sodium iodide; sodium hydrogencarbonate In acetonitrile | 98% |
5-chloro-2-(3-chloropropyl)-3,4-dihydro-2H-1,2-benzothiazin-4-one 1,1-dioxide ethylene acetal
1-(4-Fluorophenyl)piperazine
5-chloro-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-1,2-benzothiazin-4-one 1,1-dioxide ethylene acetal
Conditions | Yield |
---|---|
With sodium iodide; sodium hydrogencarbonate In acetonitrile | 98% |
1-(4-Fluorophenyl)piperazine
(1R,4R)-1-((S)-2-(4-(4-fluorophenyl)piperazin-1-yl)-1-hydroxyethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Conditions | Yield |
---|---|
With lithium perchlorate In acetonitrile at 20 - 50℃; | 98% |
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 55℃; for 12h; | 98% |
1-(3-bromopropyl)oxazolo<5,4-b>pyridin-2(1H)-one
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In acetonitrile at 85℃; for 12h; | 97% |
1-(4-Fluorophenyl)piperazine
3-(4-benzyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)propionic acid
3-(4-Benzyl-3,4-dihydro-2H-benzo[1,4]oxazin-2-yl)-1-[4-(4-fluoro-phenyl)-piperazin-1-yl]-propan-1-one
Conditions | Yield |
---|---|
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 5h; Ambient temperature; | 97% |
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
With gadolinium(III) trifluoromethanesulfonate In toluene at 150 - 190℃; | 97% |
1-(4-Fluorophenyl)piperazine
1-(2-(oxiran-2-ylmethoxy)phenyl)-3-phenylpropan-1-one
Conditions | Yield |
---|---|
Stage #1: 1-(4-Fluorophenyl)piperazine; 1-(2-(oxiran-2-ylmethoxy)phenyl)-3-phenylpropan-1-one In ethanol at 160℃; for 0.25h; Microwave irradiation; Stage #2: With hydrogenchloride In methanol | 97% |
Conditions | Yield |
---|---|
With triethylamine; potassium iodide In tetrahydrofuran Reflux; | 97% |
propargyl alcohol
2,2,2-trifluoro-N-(2-iodophenyl)acetamide
1-(4-Fluorophenyl)piperazine
Conditions | Yield |
---|---|
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; potassium carbonate In N,N-dimethyl-formamide at 80℃; for 2h; Inert atmosphere; | 97% |
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 20℃; | 97% |
The 4-Fluoro-phenylpiperazine, with the CAS registry number 2252-63-3 and EINECS registry number 218-846-6, has the systematic name of 1-(4-fluorophenyl)piperazine. It is a kind of clear yellowish liquid after melting, and belongs to the following product categories: Nitrogen cyclic compounds; Piperidines, Piperidones, Piperazines; Piperaizine; API intermediates; Building Blocks; Heterocyclic Building Blocks. And the molecular formula of the chemical is C10H13FN2. What's more, it is always used as a catalyst and intermediate.
The physical properties of 4-Fluoro-phenylpiperazine are as followings: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.6; (4)ACD/LogD (pH 7.4): -0.02; (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): 6.44; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 49.79 cm3; (15)Molar Volume: 161.9 cm3; (16)Polarizability: 19.74×10-24cm3; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 1.112 g/cm3; (19)Flash Point: 137.8 °C; (20)Enthalpy of Vaporization: 60.97 kJ/mol; (21)Boiling Point: 363.6 °C at 760 mmHg; (22)Vapour Pressure: 1.78E-05 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)N2CCNCC2
(2)InChI: InChI=1/C10H13FN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
(3)InChIKey: AVJKDKWRVSSJPK-UHFFFAOYAS
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View