32570-10-8

Basic information

• Product Name: 2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrole
• Synonyms: 2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrole
• CAS NO: 32570-10-8
• Molecular Formula: C₁₃H₁₅N
• Molecular Weight: 185.2649
• Mol File: 32570-10-8.mol
• Article Data: 18

Chemical Properties

• Melting Point: 55 °C
• Boiling Point: 301.4±21.0 °C(Predicted)
• Appearance: /
• Density: 0.96±0.1 g/cm3(Predicted)
• PKA: -2.75±0.70(Predicted)
• CAS DataBase Reference: 2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrole(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrole(32570-10-8)
• EPA Substance Registry System: 2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrole(32570-10-8)

Safety Data

• Hazardous Substances Data: 32570-10-8(Hazardous Substances Data)

Upstream product

• 99-08-1 1-methyl-3-nitrobenzene 
• 1333-74-0 hydrogen 
• 110-13-4 2,5-hexanedione 
• 108-44-1 1-amino-3-methylbenzene 
• 74-86-2 acetylene 
• 625-86-5 2,5-dimethylfuran 

Downstream Products

• 83-18-1 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde 
• 423749-16-0 2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde 

Relevant articles and documents

Silica tungstic acid and sulphated silica tungstic acid as highly efficient solid acid catalysts for the synthesis of pyrrole derivatives

In the present study silica supported tungstic acid (STA) and sulphated silica tungstic acid (SSTA) were applied as efficient and cost-effective solid acid catalysts in the synthesis of N-substituted pyrrole derivatives via the Paal–Knorr reaction of 2,5-hexadione with aromatic and aliphatic amines at room temperature. The reaction completed in short time under mild conditions with high yield. The catalysts could be easily recovered upon reaction completion. Structures of all products were confirmed by elemental analysis, FT-IR, 1H and 13C NMR spectra.

A New FXR Ligand Chemotype with Agonist/Antagonist Switch

Therapeutic modulation of the bile acid-sensing transcription factor farnesoid X receptor (FXR) is an appealing strategy to counteract hepatic and metabolic diseases. Despite the availability of several highly potent FXR agonists structural diversity of FXR modulators is limited, and new ligand scaffolds are needed. Here we report structure-activity relationship elucidation of a new FXR modulator chemotype whose activity can be tuned between agonism and antagonism by two minor structural modifications. Starting from a weak FXR/PPAR agonist, we have developed selective FXR activators and antagonists with nanomolar to low-micromolar potencies and binding affinities. The new FXR ligand chemotype modulates the FXR activity in the native cellular setting, is endowed with favorable metabolic stability, and lacks cytotoxicity. It valuably expands the collection of FXR modulators as a new scaffold for FXR-targeted drug discovery.

Superbase-promoted multi-molecular acetylene/arylamine self-organization to 1-arylpyrroles

A new superbase-promoted reaction of acetylene involves self-organization of its three molecules with one molecule of arylamine in KOH/DMSO system to afford 1-aryl-2,5- dimethylpyrroles in up to 63% yields. The key step of this reaction cascade is assumed to be the nucleophilic addition of acetylene to the C = N bond of the intermediate aldimine (aza-Favorsky reaction).