{4-[2-(Diethylamino)ethoxy]-3,5-diiodophenyl}[2-(1-methoxybutyl)-1-benzofuran-3-yl]methanone | CAS No. 1087223-70-8

{4-[2-(Diethylamino)ethoxy]-3,5-diiodophenyl}[2-(1-methoxybutyl)-1-benzofuran-3-yl]methanone

Basic Information

CAS Number

1087223-70-8

Molecular Formula

C26H31I2NO4

Molecular Weight

675.34 g/mol

AD

Basic Physical Properties

CCCC(c1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2)OC

InChI

InChI=1S/C26H31I2NO4/c1-5-10-22(31-4)26-23(18-11-8-9-12-21(18)33-26)24(30)17-15-19(27)25(20(28)16-17)32-14-13-29(6-2)7-3/h8-9,11-12,15-16,22H,5-7,10,13-14H2,1-4H3

InChIKey

QDIGHYCNRQYPFR-UHFFFAOYSA-N

LogP

7.081200000000007

Topological Polar Surface Area

51.91 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Synonyms & References

English

  • 1-Methoxy Amiodarone
  • (4-(2-(Diethylamino)ethoxy)-3,5-diiodophenyl)-(2-(1-methoxybutyl)benzofuran-3-yl)methanone
  • [4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]-[2-(1-methoxybutyl)-1-benzofuran-3-yl]methanone
  • [2-[(1RS)-1-Methoxybutyl]benzofuran-3-yl][4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone
  • [4-[2-(Diethylamino)ethoxy]-3,5-diiodophenyl][2-(1-methoxybutyl)-3-benzofuranyl]methanone
  • UNII-9R0XOA5268

FAQ

What are the physical and chemical properties of [4-[2-(Diethylamino)ethoxy]-3,5-diiodophenyl][2-(1-methoxybutyl)-1-benzofuran-3-yl]methanone (CAS: 1087223-70-8)?

This compound is a crystalline solid with a high molecular weight due to its iodine content. It has low water solubility but good solubility in organic solvents like DMSO. Chemically, it is highly reactive, with potential for iodine substitution reactions. Its reactivity can be influenced by its complex molecular structure.

How is [4-[2-(Diethylamino)ethoxy]-3,5-diiodophenyl][2-(1-methoxybutyl)-1-benzofuran-3-yl]methanone (CAS: 1087223-70-8) typically synthesized?

This compound is often synthesized through a multi-step process involving iodination of a precursor compound, followed by coupling with a benzofuran derivative under basic conditions. The reaction is typically catalyzed by a phase transfer catalyst and conducted with good selectivity, yielding high purity samples.

What industries use [4-[2-(Diethylamino)ethoxy]-3,5-diiodophenyl][2-(1-methoxybutyl)-1-benzofuran-3-yl]methanone (CAS: 1087223-70-8)?

This compound is primarily used in the pharmaceutical industry for its potential as a molecular probe or drug candidate. It may also find applications in the development of sensors and advanced materials, particularly due to its unique chemical structure and functional groups.

What precautions should be taken when handling [4-[2-(Diethylamino)ethoxy]-3,5-diiodophenyl][2-(1-methoxybutyl)-1-benzofuran-3-yl]methanone (CAS: 1087223-70-8)?

When handling this compound, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated fume hood. Spills should be cleaned up with caution, using appropriate absorbent materials, and the area should be thoroughly decontaminated. A safety data sheet (SDS) should be consulted for detailed handling and emergency procedures.

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