2,5-Diethylphenol

Base Information

• Chemical Name: 2,5-Diethylphenol
• CAS No.: 876-20-0
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• UNII: XQ1WLB600M
• DSSTox Substance ID: DTXSID601043546
• Nikkaji Number: J141.398H
• Mol file: 876-20-0.mol

Synonyms:2,5-Diethylphenol;Phenol, 2,5-diethyl-;876-20-0;XQ1WLB600M;UNII-XQ1WLB600M;2,5diethylphenol;SCHEMBL593741;AQFCDVGUEQOTAC-UHFFFAOYSA-N;DTXSID601043546;MB23814

Chemical Property of 2,5-Diethylphenol

Chemical Property:

• Vapor Pressure: 0.398mmHg at 25°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 111

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,5-Diethylphenol

There total 23 articles about 2,5-Diethylphenol 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%

2-acetoxy-1,4-diethylbenzene (34681-95-3) → 2,5-diethyl phenol (876-20-0)

Guidance literature:

With sodium tetrahydroborate; In methanol;

DOI:10.1016/S0040-4039(00)88463-4

Reference yield: 21.4%

ethanol (64-17-5) + phenol (108-95-2,27073-41-2) → o-Hydroxyethylbenzene (90-00-6) + 4-Ethylphenol (123-07-9) + 2,5-diethyl phenol (876-20-0)

Guidance literature:

With perrhenic acid anhydride; at 320 ℃; for 6h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.cattod.2019.07.018

Reference yield: 8.0%

6-Ethyl-5-octen-2-yn-4-one (120696-25-5) → 3,4-dimethyl-5-ethylphenol (62126-75-4) + 2,5-diethyl phenol (876-20-0)

Guidance literature:

collidine p-toluenesulfonate; In toluene; at 250 ℃;

DOI:10.1016/S0040-4039(00)88463-4

upstream raw materials:

1-(4-ethyl-2-hydroxyphenyl)-ethanone

1-amino-2,5-diethylbenzene

2-acetoxy-1,4-diethylbenzene

6-Ethyl-5-octen-2-yn-4-one

Downstream raw materials:

3-(2,6-dichloro-phenyl)-5,7a-diethyl-3a,7a-dihydro-benzo[d]isoxazole-4,7-dione

2,5-diethyl-1,4-benzoquinone

3-(2,5-Diethyl-phenoxy)-butan-2-on

Refernces

• 1、 Mai, Fuhang,Cui, Kai,Wen, Zhe,Wu, Kai,Yan, Fei,Chen, Mengmeng,Chen, Hong,Li, Yongdan. "Highly selective conversion of guaiacol to: Tert -butylphenols in supercritical ethanol over a H2WO4 catalyst". . p. 2764 - 2771. Retrieved 2019/02/01.
• 2、 Kwong, Hoi-Ki,Lo, Po-Kam,Yiu, Shek-Man,Hirao, Hajime,Lau, Kai-Chung,Lau, Tai-Chu. "Highly Selective and Efficient Ring Hydroxylation of Alkylbenzenes with Hydrogen Peroxide and an Osmium(VI) Nitrido Catalyst". supporting information. p. 12260 - 12263. Retrieved 2017/09/06.