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CAS No.: | 74853-08-0 |
---|---|
Name: | 1-(4-Aminophenyl)-4-(4-hydroxyphenyl)piperazine |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C16H19N3O |
Molecular Weight: | 269.346 |
Synonyms: | 4-[4-(4-Aminophenyl)piperazin-1-yl]phenol; |
EINECS: | 616-147-4 |
Density: | 1.237 g/cm3 |
Boiling Point: | 532.786 °C at 760 mmHg |
Flash Point: | 276.02 °C |
PSA: | 52.73000 |
LogP: | 3.01220 |
4-[4-(4-benzyloxy-phenyl)-piperazin-1-yl]-phenylamine
1-(4-aminophenyl)-4-(4-hydroxyphenyl)piperazine
Conditions | Yield |
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palladium on activated charcoal In tetrahydrofuran; water at 70℃; under 4137.18 Torr; for 40h; | 94% |
N-(4-Hydroxyphenyl)-N'-(4'-nitrophenyl)-piperazine
1-(4-aminophenyl)-4-(4-hydroxyphenyl)piperazine
Conditions | Yield |
---|---|
With sodium hypophosphite; 5%-palladium/activated carbon In 2-methoxy-ethanol; water at 70 - 80℃; for 2 - 2.5h; | 88% |
With ammonium formate; palladium on activated charcoal In ethyl acetate Reduction; Heating; | 82% |
With hydrogen In methanol; ethyl acetate at 35 - 40℃; under 2250.23 Torr; Large scale; |
4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-phenylamine
1-(4-aminophenyl)-4-(4-hydroxyphenyl)piperazine
Conditions | Yield |
---|---|
With Cyclohexyl iodide In N,N-dimethyl-formamide at 82 - 85℃; for 3h; | 85.7% |
With hydrogen bromide dealkylation; Heating; |
1-(4-benzyloxy-phenyl)-4-(4-nitro-phenyl)-piperazine
1-(4-aminophenyl)-4-(4-hydroxyphenyl)piperazine
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In ethanol for 24h; Heating; | 81% |
Multi-step reaction with 2 steps 1: 99 percent / H2 / Pd/C / H2O; tetrahydrofuran / 20 h / 50 °C / 2585.74 Torr 2: 94 percent / Pd/C / H2O; tetrahydrofuran / 40 h / 70 °C / 4137.18 Torr View Scheme |
1-(4-aminophenyl)-4-(4-hydroxyphenyl)piperazine
Conditions | Yield |
---|---|
With water Hydrolysis; |
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The CAS registry number of 1-(4-Aminophenyl)-4-(4-hydroxyphenyl)piperazine is 74853-08-0. With the molecular formula C16H19N3O, its IUPAC name is 4-[4-(4-aminophenyl)piperazin-1-yl]phenol. In addition, the molecular weight is 269.34. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 1-(4-Aminophenyl)-4-(4-hydroxyphenyl)piperazine are: (1)ACD/LogP: 1.84; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 31; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 52.73 Å2; (12)Index of Refraction: 1.662; (13)Molar Refractivity: 80.586 cm3; (14)Molar Volume: 217.658 cm3; (15)Polarizability: 31.947 ×10-24cm3; (16)Surface Tension: 59.324 dyne/cm; (17)Density: 1.237 g/cm3; (18)Flash Point: 276.02 °C; (19)Enthalpy of Vaporization: 83.898 kJ/mol; (20)Boiling Point: 532.786 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1)N3CCN(c2ccc(N)cc2)CC3
(2)Std. InChI: InChI=1S/C16H19N3O/c17-13-1-3-14(4-2-13)18-9-11-19(12-10-18)15-5-7-16(20)8-6-15/h1-8,20H,9-12,17H2
(3)Std. InChIKey: WZIJMPVPOMTRNM-UHFFFAOYSA-N