4-Hexyl-4H-bisthieno[3,2-b:2',3'-d]pyrrole | CAS No. 427875-87-4

4-Hexyl-4H-bisthieno[3,2-b:2',3'-d]pyrrole

Basic Information

CAS Number

427875-87-4

Molecular Formula

C14H17NS2

Molecular Weight

263.43 g/mol

AD

Basic Physical Properties

s1ccc2c1c3sccc3n2CCCCCC

InChI

InChI=1S/C14H17NS2/c1-2-3-4-5-8-15-11-6-9-16-13(11)14-12(15)7-10-17-14/h6-7,9-10H,2-5,8H2,1H3

InChIKey

AMUYHSCQMWBWKE-UHFFFAOYSA-N

LogP

5.497800000000003

Topological Polar Surface Area

4.93 Ų

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

239

Synonyms & References

English

  • 4-Hexyl-4H-dithieno[3,2-b:2',3'-d]pyrrole
  • 4-hexyl-4H-dithieno[3,2-b;2',3'-d]pyrrole
  • 4H-Dithieno[3,2-b:2',3'-d]pyrrole, 4-hexyl-
  • 4H-Dithieno[3,2-b:2',3'-d]pyrrole,4-hexyl-

MDL Number

MFCD27665378

FAQ

What are the physical and chemical properties of 4-Hexyl-4H-bisthieno[3,2-b:2',3'-d]pyrrole (CAS: 427875-87-4)?

4-Hexyl-4H-bisthieno[3,2-b:2',3'-d]pyrrole is a crystalline compound with a molecular weight of approximately 325.36 g/mol. It has moderate solubility in common organic solvents such as dichloromethane and ethyl acetate. Chemically, it is a bifunctional thienopyrrole derivative, showing good stability under normal conditions but can react with strong oxidizing agents. It is insoluble in water.

How is 4-Hexyl-4H-bisthieno[3,2-b:2',3'-d]pyrrole (CAS: 427875-87-4) typically synthesized?

4-Hexyl-4H-bisthieno[3,2-b:2',3'-d]pyrrole is usually synthesized via a multi-step process involving thieno[3,2-b]pyrrole and hexyl halide. The reaction is typically catalyzed by a palladium-based catalyst under microwave-assisted conditions. The yield and selectivity can be enhanced by optimizing reaction parameters such as temperature and solvent choice.

What industries use 4-Hexyl-4H-bisthieno[3,2-b:2',3'-d]pyrrole (CAS: 427875-87-4)?

4-Hexyl-4H-bisthieno[3,2-b:2',3'-d]pyrrole is primarily used in the semiconductor industry for organic light-emitting diodes (OLEDs) and photovoltaic devices. It is also explored in the pharmaceutical industry for its potential as a drug candidate, and in the polymer industry for developing novel functional polymers with specific properties.

What precautions should be taken when handling 4-Hexyl-4H-bisthieno[3,2-b:2',3'-d]pyrrole (CAS: 427875-87-4)?

When handling 4-Hexyl-4H-bisthieno[3,2-b:2',3'-d]pyrrole, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be neutralized with an appropriate base and then cleaned up. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.

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