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Cas Database |
| Name |
2-(4-Aminophenyl)ethanol |
EINECS | 203-174-8 |
| CAS No. | 104-10-9 | Density | 1.124 g/cm3 |
| PSA | 46.25000 | LogP | 1.38480 |
| Solubility | N/A | Melting Point |
104-108 °C |
| Formula | C8H11NO | Boiling Point | 287.5 °C at 760 mmHg |
| Molecular Weight | 137.181 | Flash Point | 127.7 °C |
| Transport Information | N/A | Appearance | light brown to brown crystals |
| Safety | 26-36-24/25 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Phenethylalcohol, p-amino- (6CI,7CI,8CI);2-(4-Aminophenyl)-1-ethanol;2-(4-Aminophenyl)ethanol;2-(4-Aminophenyl)ethyl alcohol;2-(p-Aminophenyl)ethanol;4-(2-Hydroxyethyl)aniline;4-(2-Hydroxyethyl)phenylamine;4-Aminobenzeneethanol;4-Aminophenethyl alcohol;NSC 409780;p-(2-Hydroxyethyl)aniline;p-Aminophenethyl alcohol; |
Article Data | 51 |
2-(4-Aminophenyl)ethanol Synthetic route
| Conditions | Yield |
|---|---|
| With hydrogenchloride; hydrazine hydrate; sodium hydroxide In methanol; water at 68℃; pH=7; Reagent/catalyst; pH-value; | 99.7% |
| With hydrogenchloride; indium In tetrahydrofuran at 20℃; for 1.5h; | 98% |
| With cerium(IV) oxide; hydrogen; manganese(II) oxide; zinc(II) oxide In ethanol at 80℃; under 760.051 Torr; | 98.3% |
- 104-10-9
2-(4'-aminophenyl)ethyl alcohol
| Conditions | Yield |
|---|---|
| With 3-azapentane-1,5-diamine at 130℃; for 12h; Sealed tube; | 99% |
| Conditions | Yield |
|---|---|
| With 5%-palladium/activated carbon; hydrogen In isopropyl alcohol at 40℃; for 3h; Temperature; Time; | 95.7% |
| With hydrazine hydrate In methanol Heating; | 83% |
| With hydrogen; palladium/alumina In methanol | |
| With hydrogen; nickel at 18 - 25℃; under 3800 - 22800 Torr; Catalytic hydrogenation; |
- 104-10-9
2-(4'-aminophenyl)ethyl alcohol
| Conditions | Yield |
|---|---|
| With formic acid; tris(2,2'-bipyridyl)ruthenium dichloride; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; N-ethyl-N,N-diisopropylamine In dichloromethane at 25℃; Irradiation; chemoselective reaction; | 90% |
- 104-10-9
2-(4'-aminophenyl)ethyl alcohol
| Conditions | Yield |
|---|---|
| With hydrazine hydrate; potassium hydroxide In ethylene glycol at 200℃; for 1.5h; Sealed tube; | 84% |
- 104-10-9
2-(4'-aminophenyl)ethyl alcohol
| Conditions | Yield |
|---|---|
| With indium; ammonium chloride In ethanol for 1.5h; Heating; | 78% |
| Conditions | Yield |
|---|---|
| With methanol; Na/SiO2 In tetrahydrofuran at 0 - 25℃; Bouveault-Blanc reduction; Inert atmosphere; | 78% |
| Conditions | Yield |
|---|---|
| With CH5NO3S*CHF3O3S; iron(II) sulfate In water; acetonitrile at 20℃; for 16h; | 65% |
| Multi-step reaction with 2 steps 1: nitric acid / water / -10 - 0 °C 2: hydrogen; 5%-palladium/activated carbon / isopropyl alcohol / 3 h / 40 °C View Scheme |
A
- 173901-21-8
4-(2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)aniline
B
- 104-10-9
2-(4'-aminophenyl)ethyl alcohol
| Conditions | Yield |
|---|---|
| With acetic acid; zinc for 24h; | A 61% B n/a |
| Conditions | Yield |
|---|---|
| With aluminum oxide; sodium tetrahydroborate; palladium dichloride In hexane; water at 60℃; for 3h; | 54% |
2-(4-Aminophenyl)ethanol Specification
The IUPAC name of Benzeneethanol, 4-amino- is 2-(4-aminophenyl)ethanol. With the CAS registry number 104-10-9 and EINECS 203-174-8, it is also named as 4-(2-Hydroxyethyl)aniline. The product's categories are Benzhydrols, Benzyl & Special Alcohols; Amines; Miscellaneous; Amino Alcohols; Organic Building Blocks; Oxygen Compounds. It is sensitive to air and slightly soluble in ethanol. Additionally, this chemical should be sealed in the container and stored in the cool and well-ventilated place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.02; (4)ACD/LogD (pH 7.4): 0.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.06; (8)ACD/KOC (pH 7.4): 26.15; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 41.57 cm3; (15)Molar Volume: 122 cm3; (16)Surface Tension: 51.1 dyne/cm; (17)Enthalpy of Vaporization: 55.63 kJ/mol; (18)Vapour Pressure: 0.00115 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 137.084064; (21)MonoIsotopic Mass: 137.084064; (22)Topological Polar Surface Area: 46.2; (23)Heavy Atom Count: 10; (24)Complexity: 87.3.
Uses of Benzeneethanol, 4-amino-: It is used in organic synthesis. For example: it can react with p-tolyl-boronic acid to get 2-(4-p-tolylamino-phenyl)-ethanol. This reaction needs reagent 2,6-lutidine, Cu(OAc)2, myristic acid and solvent toluene at temperature of 22 °C. The reaction time is 24 hours. The yield is 77%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin, so people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:OCCc1ccc(N)cc1
2. InChI:InChI=1/C8H11NO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6,9H2
3. InChIKey:QXHDYMUPPXAMPQ-UHFFFAOYAG
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