3,4'-Dihexyl-2,2'-bithiophene

Base Information

• Chemical Name: 3,4'-Dihexyl-2,2'-bithiophene
• CAS No.: 135926-93-1
• Molecular Formula: C20H30S2
• Molecular Weight: 334.59
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10463167
• Nikkaji Number: J683.302K
• Wikidata: Q72464451
• Mol file: 135926-93-1.mol

Synonyms:3,4'-Dihexyl-2,2'-bithiophene;135926-93-1;3,4/'-Dihexyl-2,2/'-bithiophene;3-HEXYL-2-(4-HEXYLTHIOPHEN-2-YL)THIOPHENE;MFCD15072161;3,4'-Dihexyl-[2,2']bithiophenyl;2,2'-Bithiophene, 3,4'-dihexyl-;SCHEMBL5572576;DTXSID10463167;FWQMKAFKIYUBKB-UHFFFAOYSA-N;BCP24204;AKOS015839932;AS-59863;SY029326;D3928;T70227;A846295;3,4 inverted exclamation mark -Dihexyl-2,2 inverted exclamation mark -bithiophene

Chemical Property of 3,4'-Dihexyl-2,2'-bithiophene

Chemical Property:

• Refractive Index: 1.5510-1.5550
• Boiling Point: 429.2 °C at 760 mmHg
• Flash Point: 160.6 °C
• PSA: 56.48000
• Density: 1.009 g/cm³
• LogP: 7.72220
• Storage Temp.: 0-10°C
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 334.17889330
• Heavy Atom Count: 22
• Complexity: 279

Purity/Quality:

97% ^*data from raw suppliers

3,4''-Dihexyl-2,2''-bithiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1=C(SC=C1)C2=CC(=CS2)CCCCCC

Technology Process of 3,4'-Dihexyl-2,2'-bithiophene

There total 30 articles about 3,4'-Dihexyl-2,2'-bithiophene 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-hexyl-2-bromothiophene (69249-61-2,125321-66-6) + 3-hexylthiophene (1693-86-3) → 3,4'-dihexyl-2,2'-bithiophene (135926-93-1)

Guidance literature:

3-hexylthiophene; With 2,2,6,6-tetramethylpiperidinylmagnesium chloride lithium chloride complex; In tetrahydrofuran; at 20 ℃; for 3h; Inert atmosphere;

3-hexyl-2-bromothiophene; With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; 1,3-bis(2,6-diisopropylphenyl)dihydroimidazol-2-ylidene; In tetrahydrofuran; at 60 ℃; for 20h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ja205953g

Reference yield: 97.0%

[4,3'-di-(n-hexyl)-[2,2']bithiophenyl-5-yl]-{2-[4-(2-ethoxyethoxy)phenyl]ethyl}di-para-tolylgermane (944083-68-5) → 3,4'-dihexyl-2,2'-bithiophene (135926-93-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1039/b703022c

Reference yield: 95.0%

3-hexyl-2-bromothiophene (69249-61-2,125321-66-6) + 2-bromo-4-n-hexylthiophene (210705-84-3) → 3,4'-dihexyl-2,2'-bithiophene (135926-93-1)

Guidance literature:

2-bromo-4-n-hexylthiophene; With iodine; magnesium; In diethyl ether; at 0 ℃; for 4.5h; Reflux; Inert atmosphere;

3-hexyl-2-bromothiophene; With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); In diethyl ether; for 12.5h; regioselective reaction; Reflux; Cooling with ice; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.06.100

upstream raw materials:

3-hexyl-2-bromothiophene

5’-bromo-3,4’-dihexyl-2,2’-bithiophene

3-Hexyl-2-iodothiophene

(4-hexylthiophen-2-yl)boronic acid

Downstream raw materials:

5-(5-(3-hexylthiophen-2-yl)-3-hexylthiophen-2-yl)-3-hexylthiophene

2-cyano-3-[5’’’-(9-ethyl-9H-carbazol-3-yl)-3’,3’’,3’’’,4-tetrahexyl(2,2’:5’,2’’:5’’,2’’’-quaterthiophene)-5-yl]-2-propenoic acid

4-[3,4’-dihexyl(2,2’-bithiophene)-5-yl]phenylmorpholine

4-[3,4’-dihexyl(2,2’-bithiophene)-5-yl]-N,N-diphenylbenzenamine