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5339-85-5

Basic Information
CAS No.: 5339-85-5
Name: 2-Aminophenethanol
Article Data: 19
Molecular Structure:
Molecular Structure of 5339-85-5 (2-Aminophenethanol)
Formula: C8H11NO
Molecular Weight: 137.181
Synonyms: Phenethylalcohol, o-amino- (6CI,7CI,8CI);2-(2-Aminophenyl)ethanol;2-(2-Aminophenyl)ethyl alcohol;2-(2-Hydroxyethyl)aniline;2-(o-Aminophenyl)ethanol;2-Aminophenethyl alcohol;2-Aminophenylethyl alcohol;NSC 3572;[2-(2-Hydroxyethyl)phenyl]amine;o-Aminophenethyl alcohol;
EINECS: 226-275-9
Density: 1.124 g/cm3
Melting Point: 89oC
Boiling Point: 306.661 °C at 760 mmHg
Flash Point: 127.913 °C
Solubility: soluble in cold water
Appearance: viscous liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 46.25000
LogP: 1.38480
Synthetic route
15121-84-3

2-nitro-benzeneethanol

5339-85-5

2-aminophenethyl alcohol

Conditions
ConditionsYield
100%
100%
100%
833-44-3

2-(2-nitrophenyl)ethyl nitrate

5339-85-5

2-aminophenethyl alcohol

Conditions
ConditionsYield
With hydrogen; palladium/alumina
50-00-0

formaldehyd

88-72-2

1-methyl-2-nitrobenzene

5339-85-5

2-aminophenethyl alcohol

Conditions
ConditionsYield
With N-benzyl-trimethylammonium hydroxide; calcium chloride; zinc 1.) Me2SO, 95 deg C, 1 h, 2.) H2O, reflux; Multistep reaction;
15121-84-3

2-nitro-benzeneethanol

zinc dust

zinc dust

calcium chloride

calcium chloride

5339-85-5

2-aminophenethyl alcohol

201230-82-2

carbon monoxide

15121-84-3

2-nitro-benzeneethanol

A

5339-85-5

2-aminophenethyl alcohol

B

4,5-dihydro-3,1-benzoxazepin-2(1H)-one

Conditions
ConditionsYield
With 1-Methylpyrrolidine; selenium In tetrahydrofuran at 150℃; under 22800 Torr; for 5h;A n/a
B 66 % Chromat.
88-72-2

1-methyl-2-nitrobenzene

5339-85-5

2-aminophenethyl alcohol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 37 percent / sodium phenoxide / dimethylsulfoxide / 1 h / 60 - 67 °C
2: 78 percent / calcium chloride; zinc powder / H2O / 0.5 h / Heating
View Scheme
Multi-step reaction with 2 steps
1: sodium hydroxide / 1.5 h / pH 7.4 / Large scale reaction
2: hydrogen / paraffin oil / 1.5 h / 110 °C / 15001.5 Torr
View Scheme
Multi-step reaction with 2 steps
1: sodium phenoxide / dimethyl sulfoxide / 1 h / 60 - 67 °C
2: zinc; calcium chloride / water / 0.5 h / Reflux
View Scheme
Multi-step reaction with 2 steps
1: potassium hydroxide / water; dimethyl sulfoxide / 1 h / 0 - 20 °C / Inert atmosphere
2: hydrogen; palladium 10% on activated carbon / methanol / 20.5 h / 20 °C / 760.05 Torr / Inert atmosphere
View Scheme
103-45-7

acetic acid phenethyl ester

5339-85-5

2-aminophenethyl alcohol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: acetic acid anhydride; nitric acid / 35 - 40 °C / Kochen des Reaktionsprodukts mit methanol. HCl
2: zinc; aqueous calcium chloride
View Scheme
3740-52-1

2-(2-nitrophenyl)acetic acid

5339-85-5

2-aminophenethyl alcohol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: borane-THF
2: zinc; calcium chloride; water
View Scheme
Multi-step reaction with 2 steps
1: lithium aluminium tetrahydride / methanol
2: 10% Pd/C; hydrogen / ethanol
View Scheme
59-48-3

2-oxoindole

A

496-15-1

1-indoline

B

5339-85-5

2-aminophenethyl alcohol

Conditions
ConditionsYield
With tris(2,4-pentanedionato)ruthenium(III); ytterbium(III) trifluoromethanesulfonate nonohydrate; hydrogen; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] In tetrahydrofuran at 150℃; under 37503.8 Torr; for 15h; Autoclave;A 61 %Chromat.
B n/a
30095-98-8

methyl (2-nitrophenyl)acetate

A

120-72-9

indole

B

59-48-3

2-oxoindole

C

5339-85-5

2-aminophenethyl alcohol

D

35613-44-6

2-aminophenylacetic acid methyl ester

Conditions
ConditionsYield
With sodium tetrahydroborate In tetrahydrofuran; water at 20℃; for 12h; Sonication; chemoselective reaction;
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    Quick Details CAS No.: 5339-85-5 Other Names: 2-(2-Aminophenyl)-ethanol MF: C8H11NO EINECS No.: 226-275-9 Place of Origin: Shandong, China (Mainland) Grade Standard

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Specification

The 2-Aminophenethanol, with the CAS registry number 5339-85-5, is also known as o-Aminophenethyl alcohol. It belongs to the product categories of Naphthyridine,Quinoline; Amino Alcohols; Organic Building Blocks; Oxygen Compounds. Its EINECS number is 226-275-9. This chemical's molecular formula is C8H11NO and molecular weight is 137.18. What's more, its systematic name is 2-(2-Aminophenyl)ethanol. This chemical should be sealed and stored in a dry place. Moreover, it should be protected from light and oxidants. It is used in organic synthesis.

Physical properties of 2-Aminophenethanol are: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 27.67; (8)ACD/KOC (pH 7.4): 29.45; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.25 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 41.573 cm3; (15)Molar Volume: 122.037 cm3; (16)Polarizability: 16.481×10-24cm3; (17)Surface Tension: 51.19 dyne/cm; (18)Density: 1.124 g/cm3; (19)Flash Point: 127.913 °C; (20)Enthalpy of Vaporization: 57.778 kJ/mol; (21)Boiling Point: 306.661 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of 2-Aminophenethanol: it can be used to produce 2-(2-triethylsilanyloxy-ethyl)-phenylamine at the temperature of -20 °C. It will need reagent Et3N and solvent CH2Cl2 with the reaction time of 1 hour. The yield is about 97%.

2-Aminophenethanol can be used to produce 2-(2-triethylsilanyloxy-ethyl)-phenylamine at the temperature of -20 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCc1ccccc1N
(2)Std. InChI: InChI=1S/C8H11NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6,9H2
(3)Std. InChIKey: ILDXSRFKXABMHH-UHFFFAOYSA-N