2-Ethylbenzene-1,4-diol

Base Information

• Chemical Name: 2-Ethylbenzene-1,4-diol
• CAS No.: 2349-70-4
• Molecular Formula: C8H10O2
• Molecular Weight: 138.166
• Hs Code.: 2907299090
• European Community (EC) Number: 826-239-8
• UNII: 8ZS26BG0QO
• DSSTox Substance ID: DTXSID00178056
• Nikkaji Number: J741.983J
• Wikidata: Q27271256
• Mol file: 2349-70-4.mol

Synonyms:ethylhydroquinone

Chemical Property of 2-Ethylbenzene-1,4-diol

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 0.00122mmHg at 25°C
• Melting Point: 111-112 °C
• Refractive Index: 1.578
• Boiling Point: 290.1 °C at 760 mmHg
• Flash Point: 144.6 °C
• PSA: 40.46000
• Density: 1.159 g/cm³
• LogP: 1.66020
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Acetone (Slightly), Methanol (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 103

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Ethylbenzene-1,4-diol

There total 37 articles about 2-Ethylbenzene-1,4-diol 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: 89.0%

2-(1-hydroxy-ethyl)-benzene-1,4-diol (31490-53-6) → 2-ethylhydroquinone (2349-70-4)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 15h;

Reference yield: 87.7%

1,4-O-di-propanoylethylhydroquinone → 1-O-propanoyl-2-ethylhydroquinone + 4-O-propanoyl-2-ethylhydroquinone + 2-ethylhydroquinone (2349-70-4)

Guidance literature:

With isopropyl alcohol; Candida antarctica lipase B; immobilized; In di-isopropyl ether; at 45 ℃; for 1h; Title compound not separated from byproducts.;

DOI:10.1016/j.tetlet.2007.09.104

Reference yield: 78.0%

4-ethyl-4-hydroxycyclohexa-2,5-dien-1-one → 2-ethylhydroquinone (2349-70-4)

Guidance literature:

With rhenium(VII) oxide; In dichloromethane; at 20 ℃;

DOI:10.1039/c5ra04931h

upstream raw materials:

4-ethylnitrobenzene

2-ethyl-1,4-benzoquinone

1-(2-ethyl-4-hydroxy-phenyl)-ethanone

2-vinyl-1,4-dihydroxybenzene

Downstream raw materials:

2-ethylnaphthazarin

3-ethyl-2,5-dihydroxy-benzoic acid

4-ethyl-2,5-dihydroxy-benzoic acid

2-ethyl-1,4-benzoquinone

Refernces

• 1、 Yan, Yong-Ming,Zhu, Hong-Jie,Zhou, Feng-Jiao,Tu, Zheng-Chao,Cheng, Yong-Xian. "Phenolic compounds from the insect Blaps japanensis with inhibitory activities towards cancer cells, COX-2, ROCK1 and JAK3". . p. 1029 - 1033. Retrieved 2019.
• 2、 Bryliakov, Konstantin P.,Lubov, Dmitry P.,Lyakin, Oleg Yu.,Rybalova, Tatyana V.,Samsonenko, Denis G.,Talsi, Evgenii P.. "Palladium aminopyridine complexes catalyzed selective benzylic C-H oxidations with peracetic acid". supporting information. p. 11150 - 11156. Retrieved 2020/09/02.
• 3、 Xia, Zilei,Hu, Jiadong,Shen, Zhigao,Yao, Qizheng,Xie, Weiqing. "Re2O7 catalyzed dienone-phenol rearrangement". . p. 38499 - 38502. Retrieved 2015/06/24.