Tetraphenylthiophene

Base Information

• Chemical Name: Tetraphenylthiophene
• CAS No.: 1884-68-0
• Molecular Formula: C28H20S
• Molecular Weight: 388.533
• Hs Code.: 29309090
• European Community (EC) Number: 217-545-7
• NSC Number: 56485
• DSSTox Substance ID: DTXSID90172189
• Nikkaji Number: J145.342D
• Wikidata: Q72507969
• Mol file: 1884-68-0.mol

Synonyms:Tetraphenylthiophene;2,3,4,5-Tetraphenylthiophene;1884-68-0;Thiophene, tetraphenyl-;Thionessal;EINECS 217-545-7;Tetraphenyl Thiophene;C28H20S;NSC56485;Thiophene, 2,3,4,5-tetraphenyl-;2,4,5-Tetraphenylthiophene;NCIOpen2_007444;SCHEMBL1224397;DTXSID90172189;C28-H20-S;GEO-02284;MFCD00014527;NSC 56485;NSC-56485;STK267571;AKOS003243885;NCGC00340920-01;AS-15200;FT-0609357;T2200;D92581;AB01333500-02;Q-100227

Chemical Property of Tetraphenylthiophene

Chemical Property:

• Appearance/Colour: Pale yellow powder
• Vapor Pressure: 2.58E-06mmHg at 25°C
• Melting Point: 184-185°C
• Refractive Index: 1.643
• Boiling Point: 402.238 °C at 760 mmHg
• Flash Point: 147.834 °C
• PSA: 28.24000
• Density: 1.143 g/cm³
• LogP: 8.41610
• XLogP3: 8.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 388.12857181
• Heavy Atom Count: 29
• Complexity: 433

Purity/Quality:

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

Tetraphenylthiophene ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-37-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(SC(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Technology Process of Tetraphenylthiophene

There total 107 articles about Tetraphenylthiophene 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: 58.0%

benzoyl chloride (98-88-4) → phenyl thiobenzoate (884-09-3) + tetraphenylthiophene (1884-68-0) + benzoic acid (65-85-0,8013-63-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

With hydrogen sulfide; at 400 ℃; Further byproducts given;

Reference yield: 44.9%

thiobenzoic acid (98-91-9) → diphenyl sulfide (139-66-2) + tetraphenylthiophene (1884-68-0) + thiophenol (108-98-5) + benzoic acid (65-85-0,8013-63-6) + diphenyldisulfane (882-33-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

With hydrogen sulfide; at 550 ℃; Product distribution; other temperature;

Reference yield: 40.3%

thiobenzoic acid (98-91-9) + benzoyl chloride (98-88-4) → diphenyl sulfide (139-66-2) + phenyl thiobenzoate (884-09-3) + tetraphenylthiophene (1884-68-0) + chlorobenzene (108-90-7) + diphenyldisulfane (882-33-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

at 500 ℃; Product distribution;

upstream raw materials:

phenyl benzyl ketone

phenylacetic acid

dibenzoyl disulfide

naphthalene

Downstream raw materials:

benzoic acid

C₃₀H₂₂Br₂S

1,1-dimethyl-2,3,4,5-tetraphenylsilole

diphenanthro[9,10-b:9',10'-d]thiophene

Refernces

• 1、 Salunkhe, Pravin S.,Patil, Yuvraj S.,Dhole, Indrajeet A.,Kalshetti, Basavraj S.,Patil, Vikas B.,Mane, Shivshankar R.,Ghanwat, Anil A.. "A novel synthetic approach for designing metal-free, redox-active quinoxaline-benzimidazole-based organic polymers with high energy storage capacity". . p. 14806 - 14817. Retrieved 2019.
• 2、 Jenny, Christjohannes,Obrecht, Daniel,Heimgartner, Heinz. "Additionsreaktionen von 2-Thiazolin-5-thionen mit Acetylenen". . p. 2583 - 2586. Retrieved 1982.
• 3、 Venkateswarlu, Samala,Prakoso, Suhendro Purbo,Kumar, Sushil,Tao, Yu-Tai. "Accessing π-expanded heterocyclics beyond dibenzothiophene: Syntheses and properties of phenanthrothiophenes". . p. 437 - 445. Retrieved 2020/02/13.