Phenol, 4-[(2-chloroethyl)thio]-

Base Information

• Chemical Name: Phenol, 4-[(2-chloroethyl)thio]-
• CAS No.: 101637-76-7
• Molecular Formula: C8H9ClOS
• Molecular Weight: 188.678
• DSSTox Substance ID: DTXSID20544214
• Wikidata: Q82421264
• Mol file: 101637-76-7.mol

Synonyms:101637-76-7;Phenol, 4-[(2-chloroethyl)thio]-;4-((2-chloroethyl)thio)phenol;4-[(2-chloroethyl)thio]phenol;4-(2-Chloro-ethylsulfanyl)-phenol;SCHEMBL5974403;DTXSID20544214;KWRYDTVXQNECNO-UHFFFAOYSA-N;4-[(2-Chloroethyl)sulfanyl]phenol

Chemical Property of Phenol, 4-[(2-chloroethyl)thio]-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 188.0062638
• Heavy Atom Count: 11
• Complexity: 102

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1O)SCCCl

Technology Process of Phenol, 4-[(2-chloroethyl)thio]-

There total 3 articles about Phenol, 4-[(2-chloroethyl)thio]- 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:

4-(2-hydroxyethylsulfanyl) phenol (30519-04-1) → 4-(2-chloro-ethylsulfanyl)-phenol (101637-76-7)

Guidance literature:

With thionyl chloride; chlorine; In pyridine; CH₂-; dichloromethane;

Reference yield:

diethyl ether (60-29-7,927820-24-4) + 4-thiocyanato-phenol (3774-52-5) + 2-chloro-ethanol (107-07-3) → 4-(2-chloro-ethylsulfanyl)-phenol (101637-76-7)

Guidance literature:

With triethylphosphine; In water; acetone;

Reference yield:

4-sulfanylphenol (637-89-8) → 4-(2-chloro-ethylsulfanyl)-phenol (101637-76-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / methanol; hexane; water

2: thionyl chloride; chlorine / pyridine; CH₂-; dichloromethane

With sodium hydroxide; thionyl chloride; chlorine; In pyridine; methanol; CH₂-; hexane; dichloromethane; water;

upstream raw materials:

4-(2-hydroxyethylsulfanyl) phenol

diethyl ether

4-thiocyanato-phenol

2-chloro-ethanol

Downstream raw materials:

4-((2-chloroethyl)sulfonyl)phenol

(+)(3R,4R)-4-benzyl-1-[2-(4-hydroxy-benzenesulfonyl)-ethyl]-piperidin-3-ol

(-)(3S,4S)-4-benzyl-1-[2-(4-hydroxy-benzenesulfonyl)-ethyl]-piperidin-3-ol

(3S,4S)-4-benzyl-1-[2-(4-hydroxybenzenesulfonyl)ethyl]piperidin-3-ol