Phenoxathiin

Base Information

• Chemical Name: Phenoxathiin
• CAS No.: 262-20-4
• Molecular Formula: C12H8OS
• Molecular Weight: 200.261
• Hs Code.: 29349990
• European Community (EC) Number: 205-975-8
• NSC Number: 464
• UNII: BJC51V8XW8
• DSSTox Substance ID: DTXSID4024937
• Nikkaji Number: J5.445C
• Wikipedia: Phenoxathiin
• Wikidata: Q25323736
• ChEMBL ID: CHEMBL82492
• Mol file: 262-20-4.mol

Synonyms:phenoxathiin

Chemical Property of Phenoxathiin

Chemical Property:

• Appearance/Colour: light yellow solid
• Vapor Pressure: 0.000977mmHg at 25°C
• Melting Point: 52-56 °C(lit.)
• Refractive Index: 1.676
• Boiling Point: 312.355 °C at 760 mmHg
• Flash Point: 142.707 °C
• PSA: 34.53000
• Density: 1.279 g/cm³
• LogP: 3.94350
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 200.02958605
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

Phenoxathiin >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)OC3=CC=CC=C3S2

Technology Process of Phenoxathiin

There total 42 articles about Phenoxathiin 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%

phenoxathiin-10-oxide (948-44-7) → phenoxathiine (262-20-4)

Guidance literature:

With hydrogenchloride; potassium iodide; In chloroform; at 0 - 5 ℃;

Reference yield: 98.0%

5-methylphenoxathiinium triflate → phenoxathiine (262-20-4)

Guidance literature:

In pyridine; for 24h; Heating;

DOI:10.1021/ma010961d

Reference yield: 90.0%

η6-phenoxanthiin-η5-cyclopentadienyliron hexafluorophosphate → phenoxathiine (262-20-4)

Guidance literature:

at 200 - 250 ℃; for 1h; under 1 Torr;

upstream raw materials:

diphenylether

phenoxatellurine

phenoxathiin-10-oxide

2-((2-nitrophenyl)thio)phenol

Downstream raw materials:

phenoxathiin-10-oxide

2-benzoylphenoxathiin

1-phenoxathiin-2-yl-2-phenyl-ethanone

dibenzofuran

Refernces

• 1、 Liu, Na,Chao, Fei,Huang, Yu,Wang, Yanlan,Meng, Xu,Wang, Long,Liu, Xiang. "Highly efficient CuOx/OMS-2 catalyst for synthesis of phenoxathiin derivatives via intramolecular arylations of phenols with aryl halides". . . Retrieved 2019.
• 2、 Yang, Shiping,Feng, Boya,Yang, Yudong. "Rh(III)-Catalyzed Direct ortho-Chalcogenation of Phenols and Anilines". . p. 12430 - 12438. Retrieved 2017.
• 3、 Morofuji, Tatsuya,Yoshida, Tatsuki,Tsutsumi, Ryosuke,Yamanaka, Masahiro,Kano, Naokazu. "Arylation of aryllithiums with: S-arylphenothiazinium ions for biaryl synthesis". supporting information. p. 13995 - 13998. Retrieved 2020/11/21.