4-Mercaptophenol

Base Information

• Chemical Name: 4-Mercaptophenol
• CAS No.: 637-89-8
• Molecular Formula: C6H6OS
• Molecular Weight: 126.179
• Hs Code.: 29309090
• European Community (EC) Number: 211-307-6
• NSC Number: 46192
• UNII: TAL4TS4AC3
• DSSTox Substance ID: DTXSID2073223
• Nikkaji Number: J31.042E
• Wikidata: Q72488617
• Mol file: 637-89-8.mol

Synonyms:4-mercaptophenol

Chemical Property of 4-Mercaptophenol

Chemical Property:

• Appearance/Colour: white solid or colourless liquid with a foul smell
• Vapor Pressure: 0.00979mmHg at 25°C
• Melting Point: 33-35 °C(lit.)
• Refractive Index: 1.5101 (estimate)
• Boiling Point: 256.1 °C at 760 mmHg
• PKA: 6.82±0.10(Predicted)
• Flash Point: 108.7 °C
• PSA: 59.03000
• Density: 1.255 g/cm³
• LogP: 1.68090
• Sensitive.: Air Sensitive
• Water Solubility.: soluble
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.01393598
• Heavy Atom Count: 8
• Complexity: 66.9

Purity/Quality:

99% ^*data from raw suppliers

4-Mercaptophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: Xi,C,Xn
• Statements: 36/37/38-34-20/21/22
• Safety Statements: 26-36/37-45-36/37/39-36-7/9

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1O)S
• Uses: 4-Mercaptophenol was used as a resin monomer in the study of the different gold nanocrystal core-resin shell structures. 4-Mercaptophenol (MPH) has been used to study the adsorption of MPH on silver coated polystyrene nanospheres by time-dependent surface-enhanced Raman scattering (SERS) spectroscopy.4-Mercaptophenol may be used in the preparation of silylated monomer, which was employed for the synthesis of hyperbranched poly(ester-imide). 4-Mercaptophenol (H-4MP) reacts with metal tert-butoxides ([M(OBut)4]) to yield the following Group 4 phenoxy-thiols:[(HOBut)(4MP)3M(μ-4MP)]2, where M = Ti, Zr, Hf[(py)2M(4MP)], where M = Ti, Zr; py = pyridine[(py)(4MP)3Hf(μ-4MP)]2 4-Mercaptophenol may be used in the synthesis of the following:poly(ethersulfide)s via silylation followed by polycondensation with 2,6-dichloropyridine or 3,6-dichloropyridazine2,6-di-tertiarybutyl-4-mercaptophenol via Friedel-Craft′s alkylation with tert-butyl chloride in presence of a lewis acid

Technology Process of 4-Mercaptophenol

There total 26 articles about 4-Mercaptophenol 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: 96.0%

polythiobisphenol + phenol (108-95-2,27073-41-2) → 4-sulfanylphenol (637-89-8)

Guidance literature:

aluminum nickel;

Reference yield: 95.0%

phenol (108-95-2,27073-41-2) → 4-sulfanylphenol (637-89-8)

Guidance literature:

aluminum nickel; In polythiobisphenol;

Reference yield: 95.0%

N-methyl-3-(4-hydroxyphenylthio)-maleimide → 4-sulfanylphenol (637-89-8)

Guidance literature:

With DL-dithiothreitol; triethylamine; In tetrahydrofuran; water; at 20 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2016.05.027

upstream raw materials:

4-thiocyanato-phenol

4,4'-Thiodiphenol

carbonic acid ethyl ester-(4-mercapto-phenyl ester)

potassium ethyl xanthogenate

Downstream raw materials:

4-hydroxyphenylbutylsulfide

4-(ethylthio)phenol

4-isopropyl-thiophenol

4-isobutylsulfanyl-phenol

Refernces

Practical Photocatalytic Trifluoromethylation and Hydrotrifluoromethylation of Styrenes in Batch and Flow

10.1002/anie.201608297

The research focuses on developing a practical photocatalytic method for the trifluoromethylation and hydrotrifluoromethylation of styrenes, which are challenging substrates due to potential side reactions. The experiments utilize fac-Ir(ppy)3 as a photocatalyst, visible light, and the inexpensive CF3I as the trifluoromethylating agent. The study explores batch and continuous-flow reaction conditions to improve reaction time and selectivity. Reactants include various styrene derivatives, CF3I, and 4-hydroxythiophenol (4-HTP) as a hydrogen atom donor for hydrotrifluoromethylation. Analyses involve determining yields and E/Z ratios using 19F-NMR spectroscopy with a,a,a-trifluorotoluene as an internal standard, and evaluating the impact of different bases, solvents, and light conditions on the reaction outcomes.