3-[(3-Hydroxyphenyl)disulfanyl]phenol

Base Information

• Chemical Name: 3-[(3-Hydroxyphenyl)disulfanyl]phenol
• CAS No.: 21101-56-4
• Molecular Formula: C12H10O2S2
• Molecular Weight: 250.342
• Hs Code.: 2930909090
• European Community (EC) Number: 625-257-1
• DSSTox Substance ID: DTXSID50371171
• Nikkaji Number: J2.651.202F
• Wikidata: Q72466645
• Mol file: 21101-56-4.mol

Synonyms:21101-56-4;3,3'-Dihydroxydiphenyl disulfide;3-[(3-hydroxyphenyl)disulfanyl]phenol;3,3'-Disulfanediyldiphenol;Phenol, 3,3'-dithiobis-;Bis(3-hydroxyphenyl) Disulfide;3,3'-Dihydroxydiphenyldisulphide;3,3-Disulfanediyldiphenol;3,3'-(Disulphanediyl)diphenol;3,3'-Dihydroxydiphenyldisulfide;3,3'-Dithiodiphenol;3,3'-Dithiobisphenol;SCHEMBL145253;DTXSID50371171;MFCD03094663;AKOS015898662;CS-W014625;3,3'-Dihydroxydiphenyl disulfide, 97%;AC-11521;AS-57928;B3149;FT-0614059;D77770;A815137;J-511076

Chemical Property of 3-[(3-Hydroxyphenyl)disulfanyl]phenol

Chemical Property:

• Vapor Pressure: 2.95E-08mmHg at 25°C
• Melting Point: 89-93 °C
• Refractive Index: 1.752
• Boiling Point: 437.3 °C at 760 mmHg
• PKA: 8.91±0.10(Predicted)
• Flash Point: 212.2 °C
• PSA: 91.06000
• Density: 1.449 g/cm³
• LogP: 3.89720
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 250.01222190
• Heavy Atom Count: 16
• Complexity: 191

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,3′-Dihydroxydiphenyl disulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)SSC2=CC=CC(=C2)O)O
• Uses: 3,3′-Dihydroxydiphenyl disulfide may be used in the preparation of bis-[3-(4-fluorobenzyloxy)-phenyl]-disulfide by reacting with 4-fluorobenzyl bromide.

Technology Process of 3-[(3-Hydroxyphenyl)disulfanyl]phenol

There total 5 articles about 3-[(3-Hydroxyphenyl)disulfanyl]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: 99.0%

3-mercaptophenol (40248-84-8) → 3,3’-dihydroxydiphenyl disulfide (21101-56-4)

Guidance literature:

With eosin y; In ethanol; for 16h; Irradiation;

DOI:10.1002/adsc.201401010

Reference yield:

3-[(3-aminophenyl)disulfanyl]aniline sulfate → 3,3’-dihydroxydiphenyl disulfide (21101-56-4)

Guidance literature:

3-[(3-aminophenyl)disulfanyl]aniline sulfate; With sulfuric acid; sodium nitrite; for 0.166667h;

With aminosulfonic acid; In water; for 0.333333h;

With sulfuric acid; at 120 - 124 ℃;

Reference yield:

carbonic acid ethyl ester-(3-mercapto-phenyl ester) → 3,3’-dihydroxydiphenyl disulfide (21101-56-4)

Guidance literature:

Multi-step reaction with 2 steps

1: diluted NaOH-solution

2: potassium ferricyanide; alkali

With sodium hydroxide; potassium hexacyanoferrate(III);

upstream raw materials:

3-mercaptophenol

m-Hydroxyaniline

Downstream raw materials:

C₂₄H₃₄O₂S₂

3-mercaptophenol

C₂₈H₄₂O₂S₂

Refernces

• 1、 Talla, Ali,Driessen, Brian,Straathof, Natan J. W.,Milroy, Lech-Gustav,Brunsveld, Luc,Hessel, Volker,No?l, Timothy. "Metal-Free Photocatalytic Aerobic Oxidation of Thiols to Disulfides in Batch and Continuous-Flow". supporting information. p. 2180 - 2186. Retrieved 2015/07/27.
• 2、 Zhang, Mingbao,Ryckman, David,Chen, Guohua,MacMillan, Eric,Duquette, Jason. "Practical and scaleable syntheses of 3-hydroxythiophenol". . p. 112 - 116. Retrieved 2007/10/03.