209412-22-6

Basic information

• Product Name: 2-(2,6-dichlorophenyl)-2-(6-(2,4-difluorophenylthio)pyridazin-3-yl)acetonitrile
• Synonyms: 2-(2,6-dichlorophenyl)-2-(6-(2,4-difluorophenylthio)pyridazin-3-yl)acetonitrile;2-(2,6-Dichlorophenyl)-6-[(2,4-difluorophenyl)thio]-3-pyridazineacetonitrile;2-(6-(2,4-difluorophenylthio)pyridazin-3-yl)-2-(2,6-dichlorophenyl)acetonitrile
• CAS NO: 209412-22-6
• Molecular Formula: C₁₈H₉Cl₂F₂N₃S
• Molecular Weight: 408.2519664
• Mol File: 209412-22-6.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2-(2,6-dichlorophenyl)-2-(6-(2,4-difluorophenylthio)pyridazin-3-yl)acetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2,6-dichlorophenyl)-2-(6-(2,4-difluorophenylthio)pyridazin-3-yl)acetonitrile(209412-22-6)
• EPA Substance Registry System: 2-(2,6-dichlorophenyl)-2-(6-(2,4-difluorophenylthio)pyridazin-3-yl)acetonitrile(209412-22-6)

Safety Data

• Hazardous Substances Data: 209412-22-6(Hazardous Substances Data)

Usage

Molecular structure

Consists of phenyl, pyridazinyl, and acetonitrile groups.

Chlorophenyl groups

Contains two 2,6-dichlorophenyl groups.

Difluorophenylthio group

Includes a 2,4-difluorophenylthio group.

Central pyridazinyl ring

The phenyl and difluorophenylthio groups are attached to this ring.

Acetonitrile group

Attached to the central pyridazinyl ring, contributing to the compound's unique structure.

Potential applications

May be used in the pharmaceutical industry or organic synthesis.

Diverse chemical composition

The combination of different functional groups results in a potentially valuable chemical structure.

Upstream product

• 1996-44-7 2,4-difluorothiophenol 
• 209412-06-6 6-chloro-α-(2,6-dichlorophenyl)pyridazine-3-acetonitrile 
• 3215-64-3 2,6-dichlorophenylacetonitrile 

Downstream Products

• 209412-23-7 C₁₈H₁₁N₃SF₂OCl₂ 

Relevant articles and documents

Microwave-assisted Ullmann C-S bond formation: Synthesis of the P38α MAPK clinical candidate VX-745

(Chemical Equation Presented) Microwave irradiation promotes the rapid and efficient reaction of a thiophenol and aryl or heteroaryl halide using a copper or palladium catalyst and a range of ligands, depending upon substrate. Of particular utility is the use of copper(I) iodide (5 mol %) and trans-cyclohexane-1,2-diol as ligand under basic conditions and microwave irradiation to give the corresponding sulfide in high yield. This method for C-S bond formation is applied in the four-step synthesis of the clinical candidate VX-745 in 38% overall yield. The inhibitory activity of VX-745 against p38α MAPK is confirmed in Werner syndrome dermal fibroblasts at 1.0 μM concentration by immunoblot assay. 2009 American Chemical Society.

Rapid synthesis of VX-745: p38 MAP kinase inhibition in Werner syndrome cells

The p38 mitogen-activated protein kinase inhibitor VX-745 is prepared rapidly and efficiently in a four-step sequence using a combination of conductive heating and microwave-mediated steps. Its inhibitory activity was confirmed in hTERT immortalized HCA2