5-[5-(2-Chloro-5-iodobenzyl)-2-thienyl]-2-fluoropyridine | CAS No. 1131770-46-1

5-[5-(2-Chloro-5-iodobenzyl)-2-thienyl]-2-fluoropyridine

Basic Information

CAS Number

1131770-46-1

Molecular Formula

C16H10ClFINS

Molecular Weight

429.69 g/mol

AD

Basic Physical Properties

c1cc(c(cc1I)Cc2ccc(s2)c3ccc(nc3)F)Cl

InChI

InChI=1S/C16H10ClFINS/c17-14-4-2-12(19)7-11(14)8-13-3-5-15(21-13)10-1-6-16(18)20-9-10/h1-7,9H,8H2

InChIKey

QMWRODWMUFMTIX-UHFFFAOYSA-N

LogP

5.798000000000003

Topological Polar Surface Area

12.89 Ų

Hydrogen Bond Donor/Acceptor

0 / 1

Synonyms & References

English

  • 5-(5-(2-Chloro-5-iodobenzyl)thiophen-2-yl)-2-fluoropyridine
  • 5-[5-[(2-Chloro-5-iodophenyl)methyl]-2-thienyl]-2-fluoropyridine
  • 2-(2-Chloro-5-iodinebenzyl)-5-(3-(6-fluoropyridyl))thiophene
  • 5-[5-[(2-chloro-5-iodophenyl)methyl]thiophen-2-yl]-2-fluoropyridine

MDL Number

MFCD12405595

FAQ

What are the physical and chemical properties of 5-[5-(2-Chloro-5-iodobenzyl)-2-thienyl]-2-fluoropyridine (CAS: 1131770-46-1)?

5-[5-(2-Chloro-5-iodobenzyl)-2-thienyl]-2-fluoropyridine has a crystalline form with a molecular weight of approximately 512.85 g/mol. It is poorly soluble in water but soluble in organic solvents such as ethanol and dimethylformamide. This compound is known for its high reactivity, particularly in nucleophilic substitution reactions.

How is 5-[5-(2-Chloro-5-iodobenzyl)-2-thienyl]-2-fluoropyridine (CAS: 1131770-46-1) typically synthesized?

5-[5-(2-Chloro-5-iodobenzyl)-2-thienyl]-2-fluoropyridine is synthesized via a multistep process involving the coupling of 2-fluoropyridine with 2-chloro-5-iodobenzyl thioether, followed by the introduction of the thiophene ring. Commonly used catalysts include palladium(II) acetate in the presence of a ligand. The overall yield is typically around 60-70%.

What industries use 5-[5-(2-Chloro-5-iodobenzyl)-2-thienyl]-2-fluoropyridine (CAS: 1131770-46-1)?

This compound finds applications in pharmaceuticals, primarily as an intermediate in the synthesis of more complex drugs. It is also used in the development of sensors and as a potential material for semiconductors due to its unique electronic properties.

What precautions should be taken when handling 5-[5-(2-Chloro-5-iodobenzyl)-2-thienyl]-2-fluoropyridine (CAS: 1131770-46-1)?

When handling 5-[5-(2-Chloro-5-iodobenzyl)-2-thienyl]-2-fluoropyridine, use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store in a cool, dry place away from direct sunlight. In case of a spill, use a spill kit, and consult the Safety Data Sheet (SDS) for specific guidelines. This compound requires fume hood use during synthesis due to its volatility and potential for generating toxic gases.

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