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CAS No.: | 5981-09-9 |
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Name: | TAPA |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C18H18N4 |
Molecular Weight: | 290.368 |
Synonyms: | 1,4-Benzenediamine,N,N-bis(4-aminophenyl)- (9CI);Triphenylamine, 4,4',4''-triamino- (7CI,8CI);4,4',4''-Triaminotriphenylamine;N,N-Bis(4-aminophenyl)-1,4-benzenediamine;Tris(4-aminophenyl)amine;Tris(p-aminophenyl)amine; |
EINECS: | 227-791-7 |
Density: | 1.276g/cm3 |
Melting Point: | 230 °C |
Boiling Point: | 571.3°C at 760 mmHg |
Flash Point: | 294.1°C |
Solubility: | Slightly soluble in water. |
Appearance: | Yellow Crystalline Solid |
PSA: | 81.30000 |
LogP: | 5.64660 |
tris(4-nitrophenyl)amine
4,4',4-triaminotriphenylamine
Conditions | Yield |
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Stage #1: tris(4-nitrophenyl)amine With hydrogenchloride; tin In ethanol; water for 16h; Reflux; Stage #2: With sodium hydroxide In water | 95.7% |
With palladium 10% on activated carbon; hydrazine hydrate In 1,4-dioxane; ethanol for 24.75h; Reflux; | 94% |
With hydrogenchloride; tin In ethanol Reflux; | 94% |
1-N,1-N-bis(4-nitrophenyl)benzene-1,4-diamine
4,4',4-triaminotriphenylamine
Conditions | Yield |
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With palladium 10% on activated carbon; hydrazine hydrate In tetrahydrofuran; ethanol for 16h; Reflux; | 85% |
With hydrazine hydrate; palladium on activated charcoal In 1,4-dioxane; methanol at 80℃; for 3h; Inert atmosphere; | 82% |
With hydrogenchloride; tin for 3h; Heating; | 78% |
With tin(II) chloride dihdyrate In ethanol; acetonitrile Reflux; Inert atmosphere; |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: 65 percent / K2CO3 / dimethylsulfoxide / 72 h / 90 °C 2: 78 percent / Sn; aq. HCl / 3 h / Heating View Scheme | |
Multi-step reaction with 2 steps 1: potassium carbonate / dimethyl sulfoxide / 90 °C 2: tin(II) chloride dihdyrate / acetonitrile; ethanol / Reflux; Inert atmosphere View Scheme | |
Multi-step reaction with 2 steps 1: cesium fluoride / dimethyl sulfoxide / 24 h / 120 °C 2: palladium 10% on activated carbon; hydrazine hydrate / ethanol / 9 h / Reflux View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 65 percent / K2CO3 / dimethylsulfoxide / 72 h / 90 °C 2: 78 percent / Sn; aq. HCl / 3 h / Heating View Scheme | |
Multi-step reaction with 2 steps 1: potassium carbonate / dimethyl sulfoxide / 90 °C 2: tin(II) chloride dihdyrate / acetonitrile; ethanol / Reflux; Inert atmosphere View Scheme | |
Multi-step reaction with 2 steps 1: potassium carbonate / dimethyl sulfoxide / 72 h / 90 °C / Inert atmosphere; Schlenk technique 2: palladium on activated charcoal; hydrazine hydrate / methanol; 1,4-dioxane / 3 h / 80 °C / Inert atmosphere View Scheme |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: 13 percent / K2CO3 / dimethylsulfoxide / 12 h / 145 - 150 °C 2: Sn; aq. HCl / ethanol / Heating View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 13 percent / K2CO3 / dimethylsulfoxide / 12 h / 145 - 150 °C 2: Sn; aq. HCl / ethanol / Heating View Scheme |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: 85 percent / HNO3, HOAc 2: 63 percent / Sn, aq. HCl / 1 h / Heating View Scheme | |
Multi-step reaction with 2 steps 1: glacial acetic acidacidic; nitric acid 2: hydrochloride of tin dichloride View Scheme |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: potassium carbonate / dimethyl sulfoxide / 72 h / 90 °C 2: palladium 10% on activated carbon; hydrazine hydrate / tetrahydrofuran; ethanol / 16 h / Reflux View Scheme |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: potassium carbonate / dimethyl sulfoxide / 48 h / 120 °C / Inert atmosphere 2: palladium on activated charcoal; hydrazine hydrate / 1,4-dioxane / 49 h / 80 °C / Inert atmosphere View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: cesium fluoride / dimethyl sulfoxide / 24 h / 120 °C 2: palladium 10% on activated carbon; hydrazine hydrate / ethanol / 9 h / Reflux View Scheme | |
Multi-step reaction with 2 steps 1: potassium carbonate / dimethyl sulfoxide / 10 h / 130 °C 2: tin; hydrogenchloride / ethanol / Reflux View Scheme |
The Tris(4-aminophenyl)amine with the cas number 5981-09-9 is also called N,N-Bis(4-aminophenyl)benzene-1,4-diamine. The IUPAC name is 4-N,4-N-bis(4-aminophenyl)benzene-1,4-diamine. Its EINECS registry number is 227-791-7. This chemical belongs to the following product categories: (1)Fluorescent Labels and Indicators; (2)Fluorescent Labels & Indicators. It is yellow crystalline solid. It is a fluorescent trifunctional highly symmetric probe and shows remarkably high nonlinear optical properties.
Properties Computed from Structure: (1)XLogP3-AA: 3.1; (2)H-Bond Donor: 3; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 3; (5)Exact Mass: 290.153147; (6)MonoIsotopic Mass: 290.153147; (7)Topological Polar Surface Area: 81.3; (8)Heavy Atom Count: 22; (9)Formal Charge: 0; (10)Complexity: 272; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.
Preparation: This chemical can be prepared by tris-(4-nitro-phenyl)-amine. This reaction needs reagent hydrochloride of tin dichloride.
You can still convert the following datas into molecular structure:
(1)SMILES: N(c1ccc(N)cc1)(c1ccc(N)cc1)c1ccc(N)cc1
(2)InChI: InChI=1/C18H18N4/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H,19-21H2