1-(3-Aminophenyl)ethanol

Base Information

• Chemical Name: 1-(3-Aminophenyl)ethanol
• CAS No.: 2454-37-7
• Molecular Formula: C8H11 N O
• Molecular Weight: 137.181
• Hs Code.: 29221985
• European Community (EC) Number: 219-525-3,889-292-6
• NSC Number: 62018,8392
• DSSTox Substance ID: DTXSID901031386
• Nikkaji Number: J36.097J
• Wikidata: Q106686823
• Mol file: 2454-37-7.mol

Synonyms:1-(3-Aminophenyl)ethanol;2454-37-7;3-(1-Hydroxyethyl)aniline;m-(1-Hydroxyethyl)aniline;Benzyl alcohol, m-amino-alpha-methyl-;m-Amino-alpha-methylbenzyl alcohol;(m-Aminophenyl)methyl carbinol;1-(3-aminophenyl)ethan-1-ol;3-Amino-alpha-methylbenzyl alcohol;NSC 8392;(3-Aminophenyl)-1-ethanol;NSC 62018;EINECS 219-525-3;Benzenemethanol, 3-amino-alpha-methyl-;BRN 2802415;Benzyl alcohol, m-amino-.alpha.-methyl-;Benzenemethanol, 3-amino-.alpha.-methyl-;3-(.alpha.-Hydroxyethyl)-aniline;m-Amino-.alpha.-methylbenzyl alcohol;3-Amino-.alpha.-methylbenzyl alcohol;WLN: ZR CYQ1;4-13-00-01800 (Beilstein Handbook Reference);(1S)-1-(3-Aminophenyl)ethan-1-ol;NSC8392;Benzenemethanol,3-amino-a-methyl-;m-Aminophenylmethylcarbinol;3-(1-hydroxyethyl)-aniline;3-Aminophenyl methyl carbinol;SCHEMBL297422;m-(.alpha.-Hydroxyethyl)aniline;[3-(1-Hydroxyethyl)phenyl]amine;DTXSID901031386;BIA93971;BIA93972;NSC-8392;NSC62018;MFCD00007798;NSC-62018;STK340143;AKOS003383367;AKOS016842787;SB83849;AS-49949;LS-42671;FT-0605604;EN300-203214;O10269;J-015561;F0001-0833

Chemical Property of 1-(3-Aminophenyl)ethanol

Chemical Property:

• Appearance/Colour: slightly beige to grey-brown powder or lumps
• Vapor Pressure: 0.00135mmHg at 25°C
• Melting Point: 66-69 °C(lit.)
• Refractive Index: 1.5470 (estimate)
• Boiling Point: 217 °C
• PKA: 14.53±0.20(Predicted)
• Flash Point: 126.1°C
• PSA: 46.25000
• Density: 1.117g/cm³
• LogP: 1.90330
• Solubility.: soluble in Methanol
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 137.084063974
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

3-(1-Hydroxyethyl)aniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC(=CC=C1)N)O

Technology Process of 1-(3-Aminophenyl)ethanol

There total 12 articles about 1-(3-Aminophenyl)ethanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

3-Nitroacetophenone (121-89-1) → 3-(1-hydroxyethyl)aniline (2454-37-7)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 30 ℃; for 5h; chemoselective reaction;

DOI:10.1039/c8gc03513j

Reference yield: 98.0%

1-(3-aminophenyl)ethanone (99-03-6) → 3-(1-hydroxyethyl)aniline (2454-37-7)

Guidance literature:

1-(3-aminophenyl)ethanone; With [(N,N'-bis(diisopropylphosphino)-2,6-diaminopyridine)Mn(CO)₂H]; In 1,2-dimethoxyethane; at 110 ℃; for 18h; Inert atmosphere; Sealed tube;

With sodium hydroxide; at 25 ℃; for 18h; Inert atmosphere;

DOI:10.1007/s00706-021-02774-y

Reference yield: 92.0%

3-Nitroacetophenone (121-89-1) → 3-(1-hydroxyethyl)aniline (2454-37-7) + 1-(3-aminophenyl)ethanone (99-03-6)

Guidance literature:

With isopropanol; sodium hydroxide; at 90 ℃; for 1h; chemoselective reaction; Catalytic behavior;

DOI:10.1016/j.mcat.2021.112004

upstream raw materials:

3-Nitroacetophenone

1-(3-aminophenyl)ethanone

α-(3-nitrophenyl)ethyl nitrate

ethanol

Downstream raw materials:

N-[3-(1-Hydroxy-ethyl)-phenyl]-formamide

5-chloro-N₄-cyclopropyl-N₂-{3-[1-(3-methoxypropoxy)ethyl]phenyl}pyrimidine-2,4-diamine

1-(3-(dimethylamino)phenyl)ethan-1-ol

C₁₀H₁₃NO₂

Refernces

• 1、 Zeynizadeh, Behzad,Mohammad Aminzadeh, Farkhondeh,Mousavi, Hossein. "Chemoselective reduction of nitroarenes, N-acetylation of arylamines, and one-pot reductive acetylation of nitroarenes using carbon-supported palladium catalytic system in water". . p. 3289 - 3312. Retrieved 2021/05/11.
• 2、 Alsalahi, W.,Trzeciak, A. M.,Tylus, W.. "Highly selective hydrogenation of aromatic ketones to alcohols in water: effect of PdO and ZrO2". . p. 10386 - 10393. Retrieved 2021/08/09.