2-(2-Aminophenyl)ethanol

Base Information

• Chemical Name: 2-(2-Aminophenyl)ethanol
• CAS No.: 5339-85-5
• Molecular Formula: C8H11NO
• Molecular Weight: 137.181
• Hs Code.: 2922190090
• European Community (EC) Number: 226-275-9
• NSC Number: 3572
• DSSTox Substance ID: DTXSID20201557
• Nikkaji Number: J28.545E
• Wikidata: Q72440367
• ChEMBL ID: CHEMBL4095436
• Mol file: 5339-85-5.mol

Synonyms:2-(2-Aminophenyl)ethanol;5339-85-5;2-Aminophenethyl alcohol;2-Aminophenethanol;Benzeneethanol, 2-amino-;2-(o-Aminophenyl)ethanol;Phenethyl alcohol, o-amino-;2-Aminolphenethyalcohol;2-(2-aminophenyl)ethan-1-ol;o-Aminophenethyl alcohol;2-aminophenylethanol;NSC 3572;EINECS 226-275-9;AI3-18009;2-amino-phenethylalcohol;2-(2'-aminophenyl)ethanol;2-Anilin-athanol;2-aminophenethylalcohol;2-(2-Aminophenyl)ethanol #;SCHEMBL249418;AMY301;2-Aminophenethyl alcohol, 97%;CHEMBL4095436;2-(2-Aminophenyl)ethyl Alcohol;DTXSID20201557;NSC3572;NSC-3572;AC-067;MFCD00007754;AKOS009156781;CS-W004959;AS-11694;FT-0608426;EN300-4219610;A829563;W-105739

Chemical Property of 2-(2-Aminophenyl)ethanol

Chemical Property:

• Appearance/Colour: viscous liquid
• Vapor Pressure: 0.000331mmHg at 25°C
• Melting Point: 89oC
• Refractive Index: n20/D 1.588(lit.)
• Boiling Point: 306.661 °C at 760 mmHg
• PKA: 14.81±0.10(Predicted)
• Flash Point: 127.913 °C
• PSA: 46.25000
• Density: 1.124 g/cm³
• LogP: 1.38480
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.084063974
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

99% ^*data from raw suppliers

2-Aminophenethyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CCO)N
• Uses: 2-Aminophenethyl alcohol was used in the synthesis of:indole derivativesN-(cyanothioformyl)indolinedihydro-3,1-benzoxazepine

Technology Process of 2-(2-Aminophenyl)ethanol

There total 11 articles about 2-(2-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: 100.0%

2-nitro-benzeneethanol (15121-84-3) → 2-aminophenethyl alcohol (5339-85-5)

Guidance literature:

Reference yield:

1-methyl-2-nitrobenzene (88-72-2) → 2-aminophenethyl alcohol (5339-85-5)

Guidance literature:

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

With sodium phenoxide; calcium chloride; zinc; In water; dimethyl sulfoxide;

DOI:10.1021/jo034002o

Reference yield:

carbon monoxide (201230-82-2) + 2-nitro-benzeneethanol (15121-84-3) → 2-aminophenethyl alcohol (5339-85-5) + 4,5-dihydro-3,1-benzoxazepin-2(1H)-one

Guidance literature:

With 1-Methylpyrrolidine; selenium; In tetrahydrofuran; at 150 ℃; for 5h; under 22800 Torr;

DOI:10.1055/s-2004-820018

upstream raw materials:

2-nitro-benzeneethanol

2-(2-nitrophenyl)ethyl nitrate

formaldehyd

1-methyl-2-nitrobenzene

Downstream raw materials:

N-[2-(2-hydroxy-ethyl)-anilinomethyl]-phthalimide

2-methylsulfanyl-phenethyl alcohol

1-indoline

2.3-dihydrobenzofuran

Refernces

One-pot synthesis of 2-substituted 4-aryl-4,5-dihydro-3,1-benzoxazepines from 2-(2-Aminophenyl)-1-arylethanols via dehydration of the corresponding amides

10.1002/hlca.201000421

The research focuses on the development of an efficient one-pot synthesis method for 2-substituted 4-aryl-4,5-dihydro-3,1-benzoxazepine derivatives, which are compounds of potential biological importance due to their structure being a homolog of the 4H-3,1-benzoxazine skeleton found in many biologically active compounds. The experiments involve the reaction of 2-(2-aminophenyl)ethanols with acid chlorides in the presence of excess Et3N in THF at room temperature to form N-acylated intermediates, which are then dehydrated with POCl3 to yield the desired benzoxazepine derivatives. The reactants include 2-(2-aminophenyl)ethanols, acid chlorides, Et3N, THF, and POCl3. The analyses used to characterize the products encompass techniques such as infrared (IR) spectroscopy, proton and carbon-13 nuclear magnetic resonance (1H-NMR and 13C-NMR), mass spectrometry (MS), and elemental analysis, which are detailed in the experimental part of the article.

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