4-(Methylsulfinyl)phenol

Base Information

• Chemical Name: 4-(Methylsulfinyl)phenol
• CAS No.: 14763-64-5
• Molecular Formula: C7H8O2S
• Molecular Weight: 156.205
• Hs Code.: 29350090
• European Community (EC) Number: 689-831-3
• DSSTox Substance ID: DTXSID60901221
• Nikkaji Number: J372.984B
• Wikidata: Q27117944
• Metabolomics Workbench ID: 55964
• Mol file: 14763-64-5.mol

Synonyms:4-(methylsulfinyl)phenol

Chemical Property of 4-(Methylsulfinyl)phenol

Chemical Property:

• Vapor Pressure: 2.32E-05mmHg at 25°C
• Melting Point: 46-50 °C
• Refractive Index: 1.653
• Boiling Point: 349.5 °C at 760 mmHg
• Flash Point: 165.2 °C
• PSA: 56.51000
• Density: 1.36 g/cm³
• LogP: 1.99530
• Storage Temp.: Keep Cold
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.02450067
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

97% ^*data from raw suppliers

4-(Methylsulfinyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Methylsulfinyl)phenol

There total 7 articles about 4-(Methylsulfinyl)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: 100.0%

4-hydroxythioanisole (1073-72-9) → 4-(methylsulfinyl)phenol (14763-64-5)

Guidance literature:

With {(Yb(PDCH₂)₂(PDCH))*Na(H₂O)₂(Na(PDCH)(H₂O)₂)}₂[P₂W₁₈O₆₂]*14H₂O; dihydrogen peroxide; In water; at 85 ℃; for 0.0833333h; Reagent/catalyst; Green chemistry;

DOI:10.1039/c5ce02546j

Reference yield: 67.0%

4-sulfanylphenol (637-89-8) + dimethyl sulfoxide (67-68-5,8070-53-9) → 4-(methylsulfinyl)phenol (14763-64-5)

Guidance literature:

With ammonium perchlorate; water; dihydrogen peroxide; iron(II) chloride; at 20 ℃; for 7.5h; Electrolysis; Green chemistry;

DOI:10.1039/c7gc03864j

Reference yield: 42.0%

4-hydroxythioanisole (1073-72-9) → 4-(methylsulfinyl)phenol (14763-64-5) + 4-methanesulfonyl-phenol (14763-60-1)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; ortho-tungstic acid; acetic acid; In water; at 20 - 65 ℃; for 1.16667h; pH=5;

upstream raw materials:

4-hydroxythioanisole

(4-thiomethoxyphenyl)boronic acid

4-sulfanylphenol

dimethyl sulfoxide

Downstream raw materials:

Thiophosphoric acid O-(4-methanesulfinyl-phenyl) ester O'-(2-methoxy-1-methyl-ethyl) ester O''-methyl ester

Thiophosphoric acid O-(2-ethoxy-ethyl) ester O'-(4-methanesulfinyl-phenyl) ester O''-methyl ester

Thiophosphoric acid O-(4-methanesulfinyl-phenyl) ester O'-(3-methoxy-propyl) ester O''-methyl ester

Thiophosphoric acid O-ethyl ester O'-(4-methanesulfinyl-phenyl) ester O''-(2-methoxy-1-methyl-ethyl) ester