2-Amino-4-ethylphenol

Base Information

• Chemical Name: 2-Amino-4-ethylphenol
• CAS No.: 94109-11-2
• Molecular Formula: C8H11NO
• Molecular Weight: 137.181
• Hs Code.: 2922299090
• European Community (EC) Number: 302-449-0
• UNII: 6M2KNE3TLW
• DSSTox Substance ID: DTXSID20240603
• Nikkaji Number: J318.763B
• Mol file: 94109-11-2.mol

Synonyms:2-Amino-4-ethylphenol;94109-11-2;phenol, 2-amino-4-ethyl-;6M2KNE3TLW;EINECS 302-449-0;2-Amino-4-ethyl-phenol;UNII-6M2KNE3TLW;Oprea1_104012;4-ETHYL-2-AMINOPHENOL;SCHEMBL1025691;DTXSID20240603;BBL008072;MFCD00051708;STK021962;AKOS000108843;CCG-356688;MB00456;VS-01815;BB 0245395;CS-0371350;FT-0683214;EN300-103688;A916749;J-507859

Chemical Property of 2-Amino-4-ethylphenol

Chemical Property:

• Vapor Pressure: 0.00888mmHg at 25°C
• Melting Point: 137-138 °C (decomp)
• Boiling Point: 257.7°Cat760mmHg
• PKA: 10.10±0.18(Predicted)
• Flash Point: 109.7°C
• PSA: 46.25000
• Density: 1.115g/cm³
• LogP: 2.11800
• XLogP3: 1.6
• 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:

≥95% ^*data from raw suppliers

2-Amino-4-ethylphenol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(C=C1)O)N

Technology Process of 2-Amino-4-ethylphenol

There total 10 articles about 2-Amino-4-ethylphenol 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: 90.0%

4-ethyl-2-nitrophenol (56520-98-0) → 2-amino-4-ethylphenol (94109-11-2)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate; palladium on activated charcoal; at 20 - 30 ℃; for 1.5h;

DOI:10.1002/jhet.5570300626

Reference yield:

4-ethyl-2-nitrophenol (56520-98-0) → 2-amino-4-ethylphenol (94109-11-2) + 4'-ethylbenzoxazinorifamycin

Guidance literature:

With hydrogen; palladium-carbon; In ethanol;

Reference yield:

trans-N2-(4-{4-Amino-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo [3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)benzo[b]furan-2-carboxamide P + 4-ethyl-2-nitrophenol (56520-98-0) → 2-amino-4-ethylphenol (94109-11-2)

Guidance literature:

With sodium thiosulfate; In methanol; ethanol; dichloromethane; water;

upstream raw materials:

4-Ethylphenol

benzenediazonium

4-ethyl-2-nitrophenol

E-1-(2'-hydroxy-5'-ethylphenyl)-1-ethanone oxime

Downstream raw materials:

acetic acid-(5-ethyl-2-hydroxy-anilide)

2-(2-chloro-acetylamino)-4-ethyl-phenol

N₂-(4-bromophenyl)-5-ethyl-1,3-benzoxazol-2-amine

C₂₂H₂₅N₃O₃

Refernces

• 1、 Wakamatsu, Kazumasa,Tanaka, Hitomi,Tabuchi, Keisuke,Ojika, Makoto,Zucca, Fabio A.,Zecca, Luigi,Ito, Shosuke. "Reduction of the nitro group to amine by hydroiodic acid to synthesize o-aminophenol derivatives as putative degradative markers of neuromelanin". . p. 8039 - 8050. Retrieved 2014/07/08.
• 2、 -. "HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND". Page/Page column 75. . Retrieved 2011/04/13.