5,5'''-Dihexyl-2,2':5',2'':5'',2'''-quaterthiophene

Base Information

• Chemical Name: 5,5'''-Dihexyl-2,2':5',2'':5'',2'''-quaterthiophene
• CAS No.: 132814-92-7
• Molecular Formula: C₂₈H₃₄S₄
• Molecular Weight: 498.842
• DSSTox Substance ID: DTXSID201222342
• Nikkaji Number: J949.986E
• Mol file: 132814-92-7.mol

Synonyms:5,5'''-Dihexyl-2,2':5',2'':5'',2'''-quaterthiophene;132814-92-7;2-hexyl-5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;5,5'''-Dihexyl-2,2';SCHEMBL12622287;alpha,omega-Dihexylquaterthiophene;DTXSID201222342;MFCD21396218;D4842;D90337

Chemical Property of 5,5'''-Dihexyl-2,2':5',2'':5'',2'''-quaterthiophene

Chemical Property:

• Melting Point: 178.0 to 182.0 °C
• Boiling Point: 569.6±45.0 °C(Predicted)
• Density: 1.131±0.06 g/cm3(Predicted)
• XLogP3: 11.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 498.15433578
• Heavy Atom Count: 32
• Complexity: 480

Purity/Quality:

97% ^*data from raw suppliers

5,5''''''-Dihexyl-2,2'':5'',2'''':5'''',2''''''-quaterthiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1=CC=C(S1)C2=CC=C(S2)C3=CC=C(S3)C4=CC=C(S4)CCCCCC

Technology Process of 5,5'''-Dihexyl-2,2':5',2'':5'',2'''-quaterthiophene

There total 2 articles about 5,5'''-Dihexyl-2,2':5',2'':5'',2'''-quaterthiophene 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: 47.0%

2-bromothiophene (1003-09-4) + 2-(5'-hexyl-[2,2']bithiophenyl-5-yl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane → 2-hexyl-5-(5-(thiophen-2-yl)thiophen-2-yl)thiophene (151271-42-0) + 5,5'''-dihexyl-2,2':5',2'':5'',2'''-quaterthiophene (132814-92-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; toluene; at 75 ℃; for 0.75h;

DOI:10.1002/ejoc.200600850

Reference yield:

5-bromo-5′-hexyl-2,2-bithiophene (655249-04-0) → 5-n-hexyl-2,2'-bithiophene (173448-31-2) + 5,5'''-dihexyl-2,2':5',2'':5'',2'''-quaterthiophene (132814-92-7)

Guidance literature:

With Tetrakis(dimethylamino)ethylen; palladium dichloride; at 120 ℃; for 4h; under 105011 Torr; Time; Autoclave;

DOI:10.1016/j.tetlet.2017.12.071

upstream raw materials:

2-bromothiophene

5-bromo-5′-hexyl-2,2-bithiophene