119673-47-1

Basic information

• Product Name: 2,5-DIMETHYL-1-O-TOLYL-1H-PYRROLE-3-CARBALDEHYDE
• Synonyms: 2,5-Dimethyl-1-o-tolyl-1H-pyrrole-3-carbaldehyde; 2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrole-3-carbaldehyde
• CAS NO: 119673-47-1
• Molecular Formula: C₁₄H₁₅NO
• Molecular Weight: 213.27
• Mol File: 119673-47-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 359.2°Cat760mmHg
• Flash Point: 171°C
• Appearance: /
• Density: 1.03g/cm³
• Vapor Pressure: 2.42E-05mmHg at 25°C
• Refractive Index: 1.554
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2,5-DIMETHYL-1-O-TOLYL-1H-PYRROLE-3-CARBALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-DIMETHYL-1-O-TOLYL-1H-PYRROLE-3-CARBALDEHYDE(119673-47-1)
• EPA Substance Registry System: 2,5-DIMETHYL-1-O-TOLYL-1H-PYRROLE-3-CARBALDEHYDE(119673-47-1)

Safety Data

• Hazardous Substances Data: 119673-47-1(Hazardous Substances Data)

Usage

Structure

A derivative of pyrrole with a carbonyl group (aldehyde group)

Appearance

Yellowish-brown powder at room temperature

Usage

Intermediate in organic synthesis, used in pharmaceutical and chemical industries as a building block for the production of various drugs and organic compounds

Other uses

Often used in perfumes and fragrances due to its strong odor

InChI:InChI=1/C14H15NO/c1-10-6-4-5-7-14(10)15-11(2)8-13(9-16)12(15)3/h4-9H,1-3H3

Upstream product

• 95-53-4 o-toluidine 
• 110-13-4 2,5-hexanedione 
• 68-12-2 N,N-dimethyl-formamide 
• 32570-09-5 2,5-dimethyl-1-o-tolyl-1H-pyrrole 

Downstream Products

• 889405-22-5 C₁₉H₂₁N₃OS 

Relevant articles and documents

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.

Sterically Hindered N-Aryl Pyrroles: Chromatographic Separation of Enantiomers and Barriers to Racemization

The novel N-aryl-2,5-dimethylpyrrole-3-carbaldehydes (1)-(7) have been synthesized by condensation of hexane-2,5-dione with the appropriate aniline and subsequent Vilsmeier-Haack formylation of the pyrrole ring.Diastereoisomeric association complexes of t