3-(Ethylamino)phenol

Base Information

• Chemical Name: 3-(Ethylamino)phenol
• CAS No.: 621-31-8
• Molecular Formula: C8H11NO
• Molecular Weight: 137.181
• Hs Code.: 2922299090
• European Community (EC) Number: 210-678-1
• UN Number: 1759
• UNII: L26AT05W85
• DSSTox Substance ID: DTXSID6025270
• Nikkaji Number: J31.081F
• Wikidata: Q27282613
• Mol file: 621-31-8.mol

Synonyms:3-(Ethylamino)phenol;621-31-8;3-ETHYLAMINOPHENOL;m-Ethylaminophenol;Phenol, 3-(ethylamino)-;Phenol, m-(ethylamino)-;m-(Ethylamino)phenol;CCRIS 4640;n-ethyl-m-aminophenol;EINECS 210-678-1;BRN 2637735;UNII-L26AT05W85;L26AT05W85;0-13-00-00408 (Beilstein Handbook Reference);3-(ethylamino) phenol;Phenol, 3-ethylamino-;m-hydroxyphenyl-ethylamine;3-(N-ethyl) aminophenol;SCHEMBL55730;N-ETHYL-3-AMINOPHENOL;SCHEMBL2306420;DTXSID6025270;MFCD00059617;AKOS009158754;CCG-357921;LS-1485;SB75500;AS-47782;FT-0615661;EN300-174170;F16135;Q27282613

Chemical Property of 3-(Ethylamino)phenol

Chemical Property:

• Appearance/Colour: Very viscous deep orange liquid
• Vapor Pressure: 0.00202mmHg at 25°C
• Melting Point: 62°C
• Refractive Index: 1.6
• Boiling Point: 282 °C at 760 mmHg
• PKA: 10.36±0.10(Predicted)
• Flash Point: 147.2 °C
• PSA: 32.26000
• Density: 1.107 g/cm³
• LogP: 1.89700
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.9
• 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
• Transport DOT Label: Corrosive

Purity/Quality:

99% ^*data from raw suppliers

3-(Ethylamino)phenol ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1=CC(=CC=C1)O
• Uses: 3-(Ethylamino)phenol can be used for hair dye compositions.

Technology Process of 3-(Ethylamino)phenol

There total 15 articles about 3-(Ethylamino)phenol 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: 92.0%

meta-hydroxyacetanilide (621-42-1) → 3-(ethylamino)phenol (621-31-8)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 5 - 20 ℃; for 12.5h; Inert atmosphere;

Reference yield: 85.0%

ethyl iodide (75-03-6) + m-Hydroxyaniline (591-27-5) → 3-(ethylamino)phenol (621-31-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 2h;

DOI:10.1002/jhet.5570260509

Reference yield: 40.5%

N-ethyl-N-phenylamine (103-69-5) → 3-(ethylamino)phenol (621-31-8) + (4-hydroxyphenyl)ethylamine (659-34-7) + 2-ethylaminophenol (614-70-0)

Guidance literature:

With dihydrogen peroxide; antimony pentafluoride; In hydrogen fluoride; at -20 ℃; for 0.25h; Mechanism; Product distribution;

upstream raw materials:

N-ethyl-1,3-benzenediamine

3-ethylaminobenzenesulfonic acid

ethyl iodide

m-Hydroxyaniline

Downstream raw materials:

4-methyl-7-ethylamino-2H-benzopyran-2-one

7-(ethylamino)-4-(trifluoromethyl)-2H-chromen-2-one

3-(ethyl-hexyl-amino)-phenol

Refernces

• 1、 -. "NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION". . . Retrieved 2021/08/13.
• 2、 -. "NEAR-INFRARED NERVE-SPARING FLUOROPHORES". . . Retrieved 2020/02/17.