3,4-Diphenyl-2,5-dihydrothiophene

Base Information

• Chemical Name: 3,4-Diphenyl-2,5-dihydrothiophene
• CAS No.: 100989-94-4
• Molecular Formula: C16H14S
• Molecular Weight: 238.353
• DSSTox Substance ID: DTXSID50541574
• Wikidata: Q72473131
• Mol file: 100989-94-4.mol

Synonyms:3,4-diphenyl-2,5-dihydrothiophene;100989-94-4;3,4-diphenyl-2,5-dihydro-thiophene;DTXSID50541574

Chemical Property of 3,4-Diphenyl-2,5-dihydrothiophene

Chemical Property:

• Boiling Point: 385.1±42.0 °C(Predicted)
• PSA: 25.30000
• Density: 1.157±0.06 g/cm3(Predicted)
• LogP: 4.34420
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 238.08162162
• Heavy Atom Count: 17
• Complexity: 252

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=C(CS1)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 3,4-Diphenyl-2,5-dihydrothiophene

There total 5 articles about 3,4-Diphenyl-2,5-dihydrothiophene 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: 77.0%

diphenacyl sulfide (2461-80-5) → 2,3-diphenyl-1,3-butadiene (2548-47-2) + 3,4-diphenylthiophene (16939-13-2) + 3-(2-chlorophenyl)-4-phenylthiophene (100989-94-4) + 3,4-dihydroxy-3,4-diphenylthiolane (100990-20-3)

Guidance literature:

With titanium tetrachloride; zinc; In tetrahydrofuran; for 5h; Heating;

DOI:10.1016/S0040-4039(00)98357-6

Reference yield: 77.0%

diphenacyl sulfide (2461-80-5) → 3-(2-chlorophenyl)-4-phenylthiophene (100989-94-4)

Guidance literature:

With titanium tetrachloride; zinc;

DOI:10.1246/cl.1985.1173

Reference yield:

2,3-diphenyl-1,3-butadiene (2548-47-2) → 3-(2-chlorophenyl)-4-phenylthiophene (100989-94-4)

Guidance literature:

Multi-step reaction with 2 steps

1: S₈ / pyridine / Heating

2: dimethylsulfoxide / 140 °C

With sulfur; In pyridine; dimethyl sulfoxide;

DOI:10.1016/S0040-4039(97)01082-4

upstream raw materials:

diphenacyl sulfide

4,5-diphenyl-3,6-dihydro-1,2-dithiin

α-bromoacetophenone

2,3-diphenyl-1,3-butadiene

Downstream raw materials:

2,3-diphenyl-1,3-butadiene

2,5-bis(4-methoxyphenyl)-3,4-diphenylthiophene

C₂₈H₁₈SO₄N₂

2,5-dibromo-3,4-diphenylthiophene