2-(Ethylthio)phenol

Base Information

• Chemical Name: 2-(Ethylthio)phenol
• CAS No.: 29549-60-8
• Molecular Formula: C8H10 O S
• Molecular Weight: 154.233
• Hs Code.: 2930909090
• European Community (EC) Number: 249-690-7
• UNII: 9JP4N96F24
• DSSTox Substance ID: DTXSID5067479
• Nikkaji Number: J100.174D
• Wikidata: Q81994076
• Mol file: 29549-60-8.mol

Synonyms:2-(Ethylthio)phenol;2-(Ethylsulfanyl)phenol;29549-60-8;Phenol, 2-(ethylthio)-;2-ethylsulfanylphenol;Phenol, o-(ethylthio)-;9JP4N96F24;EINECS 249-690-7;ortho-(ethylthio)phenol;2-(Ethylsulfanyl)phenol #;UNII-9JP4N96F24;SCHEMBL1128730;DTXSID5067479;AKOS011274318;AT20889;CS-0217605;FT-0733065;EN300-79236;Z905204460

Chemical Property of 2-(Ethylthio)phenol

Chemical Property:

• Vapor Pressure: 0.0337mmHg at 25°C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 234.9°Cat760mmHg
• Flash Point: 93.3°C
• PSA: 45.53000
• Density: 1.15g/cm³
• LogP: 2.50420
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 154.04523611
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

99% ^*data from raw suppliers

2-(Ethylthio)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=CC=CC=C1O

Technology Process of 2-(Ethylthio)phenol

There total 13 articles about 2-(Ethylthio)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: 85.0%

ethyl bromide (74-96-4) + ortho-mercaptophenol (1121-24-0) → 2-(ethylthio)phenol (29549-60-8)

Guidance literature:

With potassium hydrogencarbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/ic502898e

Reference yield: 43.0%

N-(phenoxy)-4-methylbenzenesulfonamide (65109-75-3) + ethanethiol (75-08-1) → 2-(ethylthio)phenol (29549-60-8) + 1-mercapto-2-(4-hydroxyphenyl)ethane (67382-72-3)

Guidance literature:

With boron trifluoride; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1021/ja00387a040

Reference yield: 43.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + Ethanesulfonyl chloride (594-44-5) → 2-(ethylthio)phenol (29549-60-8)

Guidance literature:

With iodine; In 1,4-dioxane; at 150 ℃; for 18h;

DOI:10.1039/c4ra08014a

upstream raw materials:

ethyl bromide

ortho-mercaptophenol

N-(phenoxy)-4-methylbenzenesulfonamide

ethanethiol

Downstream raw materials:

<2-Aethylmercapto-phenyl>-benzyl-aether

2-(ethylsulfinyl)phenol

Ethyl-(o-hydroxy-phenyl)-sulfon

4-(2-ethylsulfanyl-phenoxy)-2-trifluoromethyl-benzonitrile

Refernces

• 1、 Chen, Ya,Xiao, Fuhong,Chen, Hui,Liu, Saiwen,Deng, Guo-Jun. "Iodine-promoted 2-arylsulfanylphenol formation using cyclohexanones as phenol source". . p. 44621 - 44628. Retrieved 2014/12/10.
• 2、 -. "Process for preparing ortho-(alkylthio)phenols". . . Retrieved 2008/06/13.