4-(Benzylthio)phenol

Base Information

• Chemical Name: 4-(Benzylthio)phenol
• CAS No.: 30519-03-0
• Molecular Formula: C13H12OS
• Molecular Weight: 216.304
• DSSTox Substance ID: DTXSID50407560
• Nikkaji Number: J653.934C
• Wikidata: Q82212859
• Mol file: 30519-03-0.mol

Synonyms:4-(Benzylthio)phenol;30519-03-0;4-benzylsulfanylphenol;4-(BENZYLSULFANYL)PHENOL;Phenol, 4-[(phenylmethyl)thio]-;MFCD12819458;4-benzylsulfanyl-phenol;SCHEMBL338116;DTXSID50407560;UXMOBLWTCSCLLR-UHFFFAOYSA-N;AKOS010084875;AS-60620;SY124640;CS-0036452;W11263

Chemical Property of 4-(Benzylthio)phenol

Chemical Property:

• PSA: 45.53000
• LogP: 3.68450
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 216.06088618
• Heavy Atom Count: 15
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

4-benzylsulfanylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSC2=CC=C(C=C2)O

Technology Process of 4-(Benzylthio)phenol

There total 10 articles about 4-(Benzylthio)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: 98.0%

4-bromo-phenol (106-41-2) + phenylmethanethiol (100-53-8) → benzyl 4-hydroxyphenyl sulfide (30519-03-0)

Guidance literature:

With C₃₀H₃₂Cl₃N₄Ni₂⁽¹⁺⁾*Cl^(1-); potassium hydroxide; In 1,4-dioxane; at 40 ℃; for 6h; Reagent/catalyst;

DOI:10.1021/acs.organomet.0c00732

Reference yield: 96.0%

4-sulfanylphenol (637-89-8) + benzyl chloride (100-44-7) → benzyl 4-hydroxyphenyl sulfide (30519-03-0)

Guidance literature:

With triethylamine; In chloroform; for 8h; Reflux;

Reference yield: 94.0%

4-sulfanylphenol (637-89-8) + benzyl bromide (100-39-0) → benzyl 4-hydroxyphenyl sulfide (30519-03-0)

Guidance literature:

With potassium carbonate; In toluene; for 8h; Reflux;

upstream raw materials:

4-sulfanylphenol

benzyl bromide

4-Ethoxyaniline

4-bromo-phenol

Downstream raw materials:

1-benzylsulfanyl-4-butoxy-benzene

2-(4-benzylsulfanyl-phenoxy)-ethanol

1-[2-(4-benzylsulfanyl-phenoxy)-ethyl]-pyrrolidine

ethyl 2-(4-benzylthio-phenoxy)-3-phenyl-propanoate

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