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CAS No.: | 6269-89-2 |
---|---|
Name: | 1-(4-Nitrophenyl)piperazine |
Article Data: | 47 |
Molecular Structure: | |
Formula: | C10H13N3O2 |
Molecular Weight: | 207.232 |
Synonyms: | Piperazine,1-(p-nitrophenyl)- (6CI,8CI);1-(p-Nitrophenyl)piperazine;4-(Piperazin-1-yl)-nitrobenzene;N-(4-Nitrophenyl)piperazine;N-(p-Nitrophenyl)piperazine;NSC 148473;NSC 33874; |
EINECS: | 228-443-7 |
Density: | 1.222 g/cm3 |
Melting Point: | 131-133 °C(lit.) |
Boiling Point: | 391.9 °C at 760 mmHg |
Flash Point: | 190.8 °C |
Appearance: | yellow to ochre powder |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-37/39-24/25-36 |
PSA: | 61.09000 |
LogP: | 1.92140 |
tert-butyl 4-(4-nitrophenyl)piperazine-1-carboxylate
1-(4-Nitrophenyl)piperazine
Conditions | Yield |
---|---|
With trifluoroacetic acid In dichloromethane at 20℃; for 6h; | 98% |
Stage #1: tert-butyl 4-(4-nitrophenyl)piperazine-1-carboxylate With Amberlyst(R) 15 In dichloromethane at 20℃; Stage #2: With ammonium hydroxide In methanol at 20℃; for 1.5h; | 94% |
With trifluoroacetic acid In dichloromethane at 20℃; for 1h; | 90% |
Conditions | Yield |
---|---|
With tetra-(n-butyl)ammonium iodide; potassium carbonate In dimethyl sulfoxide at 120℃; for 12h; Arylation; | 98% |
With potassium carbonate In N,N-dimethyl-formamide Reflux; | 55% |
With potassium phosphate; copper(l) iodide; ethylene glycol In isopropyl alcohol for 48h; Heating / reflux; | 49.4% |
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide under 6000.6 Torr; | 95% |
In acetonitrile Reflux; | 85.1% |
In chloroform; acetonitrile |
Conditions | Yield |
---|---|
With tetra-(n-butyl)ammonium iodide; potassium carbonate In dimethyl sulfoxide at 120℃; for 12h; Arylation; | 91% |
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; | 86% |
In diethylene glycol dimethyl ether at 100℃; for 6h; | 81% |
bis-(2-chloroethyl)amine hydrochloride
4-nitro-aniline
1-(4-Nitrophenyl)piperazine
Conditions | Yield |
---|---|
In various solvent(s) at 150℃; | 90% |
With potassium carbonate In butan-1-ol | 16.1 g (14%) |
Reflux; | |
With potassium iodide at 150℃; Inert atmosphere; |
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide Arylation; Heating; | 76% |
bis(2-bromoethyl)amine hydrobromide
4-nitro-aniline
1-(4-Nitrophenyl)piperazine
Conditions | Yield |
---|---|
With butan-1-ol |
Conditions | Yield |
---|---|
at 150℃; im Rohr; |
Conditions | Yield |
---|---|
With potassium phosphate; copper(l) iodide In isopropyl alcohol at 20℃; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: macroporous polymer-supported carbonate / dimethylsulfoxide / 100 °C 1.2: macroporous polymer-supported isocyanate / CH2Cl2 / 60 °C 2.1: Amberlyst(R) 15 / CH2Cl2 / 20 °C 2.2: 94 percent / aq. NH3 / methanol / 1.5 h / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: K2CO3 / dimethylsulfoxide / 12 h / 80 °C 2: concd. HCl / acetonitrile View Scheme | |
Multi-step reaction with 2 steps 1: potassium carbonate / acetonitrile / 48 h / Reflux 2: hydrogenchloride; acetic acid / water / 2 h / 20 °C View Scheme |
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Molecular Structure of Piperazine, 1-(4-nitrophenyl)- (CAS NO.6269-89-2):
IUPAC Name: 1-(4-Nitrophenyl)piperazine
Empirical Formula: C10H13N3O2
Molecular Weight: 207.2291
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 52.3Å2
Index of Refraction: 1.578
Molar Refractivity: 56.35 cm3
Molar Volume: 169.5 cm3
Surface Tension: 47.8 dyne/cm
Density: 1.222 g/cm3
Flash Point: 190.8 °C
Enthalpy of Vaporization: 64.16 kJ/mol
Boiling Point: 391.9 °C at 760 mmHg
Vapour Pressure: 2.38E-06 mmHg at 25 °C
EINECS: 228-443-7
Melting point: 130-134 ºC
Product Categories: Nitrogen cyclic compounds; Piperidines, Piperidones, Piperazines; pharmacetical; Phenyls & Phenyl-Het;Piperaizine; API intermediates; Chiral chemicals; Phenyls & Phenyl-Het; Building Blocks; Heterocyclic Building Blocks; Piperazines
InChI: InChI=1/C10H13N3O2/c14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11H,5-8H2
Smiles: [N+](c1ccc(N2CCNCC2)cc1)([O-])=O
Hazard Codes: Xn,Xi
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-24/25-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S24/25:Avoid contact with skin and eyes.
S36:Wear suitable protective clothing.
RIDADR: 2811
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III
Piperazine, 1-(4-nitrophenyl)- , with CAS number of 6269-89-2, can be called 1-(4-Nitrophenyl)piperazine ; 1-(4-Nitrophenyl)piperazin ; 1-(4-Nitrophenyl)piperazine 97% ; 1-(4-Nitro-phenyl)-piperazine . It is a yellow to ochre powder.