328028-87-1

Basic information

• Product Name: 1-(2,4-DIMETHYL-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
• Synonyms: 1-(2,4-DIMETHYL-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE;AURORA KA-4247
• CAS NO: 328028-87-1
• Molecular Formula: C₁₅H₁₇NO
• Molecular Weight: 227.3
• Mol File: 328028-87-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 370.1°Cat760mmHg
• Flash Point: 177.6°C
• Appearance: /
• Density: 1.02g/cm³
• Vapor Pressure: 1.13E-05mmHg at 25°C
• Refractive Index: 1.55
• CAS DataBase Reference: 1-(2,4-DIMETHYL-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2,4-DIMETHYL-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE(328028-87-1)
• EPA Substance Registry System: 1-(2,4-DIMETHYL-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE(328028-87-1)

Safety Data

• Hazardous Substances Data: 328028-87-1(Hazardous Substances Data)

Usage

General Description

1-(2,4-dimethyl-phenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde, is a chemical compound that belongs to the group of pyrrole derivatives. It is a yellow liquid with a strong, sweet odor and is commonly used as a flavoring agent in the food industry. This chemical compound is also used in the production of various perfumes and fragrances due to its aromatic properties. Additionally, it has been found to have potential applications in the field of organic synthesis and pharmaceutical research. However, due to its strong odor and potential health hazards, proper precautions should be taken when handling and using this compound.

InChI:InChI=1/C15H17NO/c1-10-5-6-15(11(2)7-10)16-12(3)8-14(9-17)13(16)4/h5-9H,1-4H3

Upstream product

• 95-68-1 2,4-Xylidine 
• 110-13-4 2,5-hexanedione 
• 140137-33-3 N-(2′,4′-dimethylphenyl)-2,5-dimethylpyrrole 
• 68-12-2 N,N-dimethyl-formamide 

Downstream Products

• 471885-11-7 C₂₀H₂₃N₃OS 

Relevant articles and documents

Discovery, synthesis and SAR analysis of novel selective small molecule S1P4-R agonists based on a (2Z,5Z)-5-((pyrrol-3-yl)methylene)-3- alkyl-2-(alkylimino)thiazolidin-4-one chemotype

High affinity and selective S1P4 receptor (S1P4-R) small molecule agonists may be important proof-of-principle tools used to clarify the receptor biological function and effects to assess the therapeutic potential of the S1P4-R in diverse disease areas including treatment of viral infections and thrombocytopenia. A high-throughput screening campaign of the Molecular Libraries-Small Molecule Repository was carried out by our laboratories and identified (2Z,5Z)-5-((1-(2-fluorophenyl)-2,5-dimethyl-1H- pyrrol-3-yl)methylene)-3-methyl-2-(methylimino) thiazolidin-4-one as a promising S1P4-R agonist hit distinct from literature S1P4-R modulators. Rational chemical modifications of the hit allowed the identification of a promising lead molecule with low nanomolar S1P4-R agonist activity and exquisite selectivity over the other S1P 1-3,5-Rs family members. The lead molecule herein disclosed constitutes a valuable pharmacological tool to explore the effects of the S1P4-R signaling cascade and elucidate the molecular basis of the receptor function.