4-[(2-Hydroxyethyl)thio]phenol

Base Information

• Chemical Name: 4-[(2-Hydroxyethyl)thio]phenol
• CAS No.: 30519-04-1
• Molecular Formula: C8H10O2S
• Molecular Weight: 170.232
• DSSTox Substance ID: DTXSID901306480
• Nikkaji Number: J637.272D
• Mol file: 30519-04-1.mol

Synonyms:4-[(2-Hydroxyethyl)thio]phenol;30519-04-1;4-(2-hydroxyethylthio)phenol;SCHEMBL2589711;IFHQAPBPRZJELK-UHFFFAOYSA-N;DTXSID901306480;4-(2-hydroxy-ethylsulfanyl)-phenol;2-hydroxyethyl 4-hydroxyphenyl sulfide;AKOS010261374;(a)

Chemical Property of 4-[(2-Hydroxyethyl)thio]phenol

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 170.04015073
• Heavy Atom Count: 11
• Complexity: 100

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1O)SCCO
• Recent ClinicalTrials: A Single Ascending Dose Study of ACT-541468 in Healthy Male Subjects

Technology Process of 4-[(2-Hydroxyethyl)thio]phenol

There total 4 articles about 4-[(2-Hydroxyethyl)thio]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: 78.0%

4-sulfanylphenol (637-89-8) + 2-bromoethanol (540-51-2) → 4-(2-hydroxyethylsulfanyl) phenol (30519-04-1)

Guidance literature:

4-sulfanylphenol; With sodium hydroxide; In methanol; water; at -5 ℃; for 1.5h; Large scale;

2-bromoethanol; In methanol; water; at -5 - 20 ℃; for 21.25h; Large scale;

DOI:10.1021/op034006v

Reference yield: 49.0%

4-sulfanylphenol (637-89-8) + 2-chloro-ethanol (107-07-3) → 4-(2-hydroxyethylsulfanyl) phenol (30519-04-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2007.11.014

Reference yield:

NaHCO3-solution + 4-sulfanylphenol (637-89-8) + 1-bromoethanol (141072-57-3) → 4-(2-hydroxyethylsulfanyl) phenol (30519-04-1)

Guidance literature:

With sodium hydroxide; In methanol; ethyl acetate;

upstream raw materials:

4-sulfanylphenol

2-bromoethanol

1-bromoethanol

2-chloro-ethanol

Downstream raw materials:

4-(vinylsulfonyl)phenol