245070-85-3

Basic information

• Product Name: 3-(3-FLUORO-PHENYL)-PROPIONALDEHYDE
• Synonyms: 3-(3-FLUORO-PHENYL)-PROPIONALDEHYDE;Benzenepropanal, 3-fluoro- (9CI);3-(3-fluorophenyl)propanal
• CAS NO: 245070-85-3
• Molecular Formula: C₉H₉FO
• Molecular Weight: 152.17
• Product Categories: HALIDE
• Mol File: 245070-85-3.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 201.3°Cat760mmHg
• Flash Point: 83.3°C
• Appearance: /
• Density: 1.084g/cm³
• Vapor Pressure: 0.31mmHg at 25°C
• Refractive Index: 1.49
• CAS DataBase Reference: 3-(3-FLUORO-PHENYL)-PROPIONALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(3-FLUORO-PHENYL)-PROPIONALDEHYDE(245070-85-3)
• EPA Substance Registry System: 3-(3-FLUORO-PHENYL)-PROPIONALDEHYDE(245070-85-3)

Safety Data

• Hazardous Substances Data: 245070-85-3(Hazardous Substances Data)

Usage

General Description

3-(3-Fluoro-phenyl)-propionaldehyde, also known as 3-(3-Fluorophenyl)propanal, is a chemical compound with the molecular formula C9H9FO. It is a pale yellow liquid with a fruity, floral odor. 3-(3-FLUORO-PHENYL)-PROPIONALDEHYDE is commonly used in the fragrance industry as a key ingredient in various perfumes and cosmetic products. It is known for its pleasant and long-lasting scent, and is often used as a base note in fragrance formulations. In addition to its odorant properties, 3-(3-Fluoro-phenyl)-propionaldehyde has also been studied for its potential pharmaceutical applications, particularly in the development of new drug compounds. Overall, this compound has versatile uses in the field of chemistry and is valued for its unique scent and potential medicinal properties.

InChI:InChI=1/C9H9FO/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5-7H,2,4H2

Upstream product

• 156868-83-6 3-(3-fluorophenyl)propan-1-ol 
• 1121-86-4 1-Fluoro-3-iodobenzene 
• 107-18-6 allyl alcohol 
• 148960-31-0 3-(3-fluorophenyl)propionyl chloride 
• 458-45-7 3-(3-fluorophenyl)propionic acid 
• 425704-52-5 methyl 3-(3-fluorophenyl)propanoate 
• 201230-82-2 carbon monoxide 
• 2561-17-3 1-ethynyl-3-fluoro-benzene 
• 350-51-6 3-fluorostyrene 

Downstream Products

• 1073495-62-1 (1R)-9-fluoro-1-[(4-{[3-(3-fluorophenyl)propyl]amino}-1-piperidinyl)methyl]-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one 
• 884497-40-9 5-(3-fluorobenzyl)-2-thiazolamine 
• 42291-83-8 (E)-3-(3-fluorophenyl)acrylaldehyde 
• 1562370-51-7 C₂₂H₂₄FN₃O 
• 1197396-83-0 2-[(4-{[3-(3-fluorophenyl)propyl]amino}-1-piperidinyl)methyl]-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylene-3,8-dione 

Relevant articles and documents

Synthesis of rac-ɑ-aryl propionaldehydes via branched-selective hydroformylation of terminal arylalkenes using water-soluble Rh-PNP catalyst

This work detailed the preparation of a class of water-soluble PNP ligands that differed by the nature of the substitute on phenyl ring of ligands. These ligands were incorporated into water-soluble rhodium-PNP complex catalysts that were used to regioselective hydroformylation of a series of terminal arylalkenes, providing efficient access to rac-α-aryl propionaldehydes in good to excellent yield (up to 97%) and branched-regioselectivity (up to 40:1 b/l ratio). Furthermore, gram-scale and diverse synthetic transformation demonstrated synthetic application of this methodology for non-steroidal antiinflammatory drugs.

Synthesis and inhibitory studies of phosphonic acid analogues of homophenylalanine and phenylalanine towards alanyl aminopeptidases

A library of novel phosphonic acid analogues of homophenylalanine and phenylalanine, containing fluorine and bromine atoms in the phenyl ring, have been synthesized. Their inhibitory properties against two important alanine aminopeptidases, of human (hAPN, CD13) and porcine (pAPN) origin, were evaluated. Enzymatic studies and comparison with literature data indicated the higher inhibitory potential of the homophenylalanine over phenylalanine derivatives towards both enzymes. Their inhibition constants were in the submicromolar range for hAPN and the micromolar range for pAPN, with 1-amino-3-(3-fluorophenyl) propylphosphonic acid (compound 15c) being one of the best low-molecular inhibitors of both enzymes. To the best of our knowledge, P1 homophenylalanine analogues are the most active inhibitors of the APN among phosphonic and phosphinic derivatives described in the literature. Therefore, they constitute interesting building blocks for the further design of chemically more complex inhibitors. Based on molecular modeling simulations and SAR (structure-activity relationship) analysis, the optimal architecture of enzyme-inhibitor complexes for hAPN and pAPN were determined.

2-AMINOQUINOLINE-BASED COMPOUNDS FOR POTENT AND SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITION

Various 2-aminoquinoline compounds as can be used, in vivo or in vitro, for selective inhibition of neuronal nitric oxide synthase.