4-Methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine | CAS No. 1227270-73-6

4-Methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine

Basic Information

CAS Number

1227270-73-6

Molecular Formula

C14H12N2O2S

Molecular Weight

272.33 g/mol

AD

Basic Physical Properties

CC1=C2C=CN(C2=NC=C1)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H12N2O2S/c1-11-7-9-15-14-13(11)8-10-16(14)19(17,18)12-5-3-2-4-6-12/h2-10H,1H3

InChIKey

IVMGQUXEEFPDCQ-UHFFFAOYSA-N

LogP

2.5817200000000007

Topological Polar Surface Area

51.96 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

412

Synonyms & References

English

  • 4-Methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
  • 1-(benzenesulfonyl)-4-methylpyrrolo[2,3-b]pyridine
  • 1-(Phenylsulphonyl)-4-Methyl-7-azaindole
  • DA-39177
  • SCHEMBL1672537
  • 1H-Pyrrolo[2,3-b]pyridine, 4-methyl-1-(phenylsulfonyl)-
  • 1-(Benzenesulfonyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine
  • 4- Methyl-1 -(phenylsulfonyl)-1 H-pyrrolo[2,3-b]pyridine
  • DTXSID00736458
  • 1227270-73-6
  • AKOS022174923
  • IVMGQUXEEFPDCQ-UHFFFAOYSA-N
  • 1-(phenylsulphonyl)-4-methyl-7-azaindole
  • AMY9366

MDL Number

MFCD16875761

FAQ

What are the physical and chemical properties of 4-Methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine (CAS: 1227270-73-6)?

4-Methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is a solid with a crystalline form. Its molecular weight is approximately 284.32 g/mol. It is poorly soluble in water but soluble in organic solvents like dichloromethane and ethanol. The compound is stable under normal laboratory conditions but reacts with strong bases and reducing agents. It has a low volatility and is not flammable.

How is 4-Methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine (CAS: 1227270-73-6) typically synthesized?

4-Methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine can be synthesized through a multi-step process involving the coupling of 4-methyl-1H-pyrrolo[2,3-b]pyridine with phenylsulfonyl chloride. The reaction is typically carried out in the presence of a base like triethylamine and a solvent such as dichloromethane. The yield is around 70-80%, and the product is isolated by column chromatography.

What industries use 4-Methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine (CAS: 1227270-73-6)?

4-Methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is used in the pharmaceutical and chemical industries. It serves as an intermediate in the synthesis of various pharmaceutical compounds, particularly in the development of anti-inflammatory and analgesic drugs. It is also used in the preparation of materials for sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 4-Methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine (CAS: 1227270-73-6)?

When handling 4-Methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine, it is recommended to use appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. The compound should be used in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate solid absorbents and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

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