3,2':5',3''-Terthiophene

Base Information

• Chemical Name: 3,2':5',3''-Terthiophene
• CAS No.: 81294-16-8
• Molecular Formula: C₁₂H₈S₃
• Molecular Weight: 248.394
• European Community (EC) Number: 623-171-9
• NSC Number: 700223
• DSSTox Substance ID: DTXSID10231040
• Nikkaji Number: J3.109.840H
• Wikidata: Q27121891
• Metabolomics Workbench ID: 57317
• ChEMBL ID: CHEMBL2003427
• Mol file: 81294-16-8.mol

Synonyms:3,2':5',3''-Terthiophene;81294-16-8;2,5-di(thiophen-3-yl)thiophene;NSC700223;CHEBI:50078;2,5-bis(3-thienyl)thiophene;OXELADINCITRATE;3 2':5'3-Terthiophene;SCHEMBL1679991;CHEMBL2003427;DTXSID10231040;3,2':5',3"-Terthiophene, 97%;NSC-700223;2,5-BIS(THIOPHEN-3-YL)THIOPHENE;NCI60_035957;AI-942/13331618;Q27121891

Chemical Property of 3,2':5',3''-Terthiophene

Chemical Property:

• Melting Point: 175-181oC(lit.)
• Boiling Point: 315.6°Cat760mmHg
• Flash Point: 106.8°C
• PSA: 84.72000
• Density: 1.318g/cm³
• LogP: 5.20510
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 247.97881378
• Heavy Atom Count: 15
• Complexity: 197

Purity/Quality:

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

3,2′:5′,3?″-Terthiophene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CSC=C1C2=CC=C(S2)C3=CSC=C3

Technology Process of 3,2':5',3''-Terthiophene

There total 7 articles about 3,2':5',3''-Terthiophene 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%

1,4-bis(thiophen-3-yl)buta-1,3-diyne (81294-14-6) → 3,2':5',3''-terthiophene (81294-16-8)

Guidance literature:

With sodium sulfide; In methanol; Heating;

DOI:10.1021/jo00132a047

Reference yield: 75.0%

1,4-di(3'-thienyl)1,4-butanedione (101306-14-3) → 3,2':5',3''-terthiophene (81294-16-8)

Guidance literature:

With diphosphorus pentasulfide; sodium hydrogencarbonate; In dichloromethane; Ambient temperature;

Reference yield: 48.0%

2,5-dibromothiophen (3141-27-3) + Thien-3-ylboronic acid (6165-69-1) → 3,2':5',3''-terthiophene (81294-16-8)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydrogencarbonate; In 1,2-dimethoxyethane; for 4h; Heating;

DOI:10.3987/COM-89-S90

upstream raw materials:

2,5-dibromothiophen

Thien-3-ylboronic acid

1,4-bis(thiophen-3-yl)buta-1,3-diyne

1,4-di(3'-thienyl)1,4-butanedione