887576-87-6

Basic information

• Product Name: 3-Fluoro-4-phenoxy-benzaldehyde
• Synonyms: 3-Fluoro-4-phenoxybenzaldehyde; 4-(Phenoxy)-3-fluoro-benzaldehyde; benzaldehyde, 3-fluoro-4-phenoxy-
• CAS NO: 887576-87-6
• Molecular Formula: C₁₃H₉FO₂
• Molecular Weight: 216.21
• Mol File: 887576-87-6.mol

Chemical Properties

• Boiling Point: 297.8°C at 760 mmHg
• Flash Point: 129.7°C
• Appearance: /
• Density: 1.229g/cm³
• Vapor Pressure: 0.00132mmHg at 25°C
• Refractive Index: 1.591
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-Fluoro-4-phenoxy-benzaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Fluoro-4-phenoxy-benzaldehyde(887576-87-6)
• EPA Substance Registry System: 3-Fluoro-4-phenoxy-benzaldehyde(887576-87-6)

Safety Data

• Hazardous Substances Data: 887576-87-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
3-Fluoro-4-phenoxy-benzaldehyde is used as a key intermediate in the development of pharmaceuticals for its ability to contribute to the synthesis of various therapeutic agents. Its unique structure allows for the creation of new compounds with potential medicinal properties.
Used in Agrochemical Production:
In the agrochemical industry, 3-Fluoro-4-phenoxy-benzaldehyde is utilized as an intermediate in the synthesis of various agrochemicals, contributing to the development of new pesticides and other agricultural products that can enhance crop protection and yield.
Used in Organic Synthesis:
3-Fluoro-4-phenoxy-benzaldehyde is employed as a versatile building block in organic synthesis, enabling the creation of a wide range of organic compounds for various applications, including the development of new materials and chemical processes.
Used in Research and Development:
3-Fluoro-4-phenoxy-benzaldehyde is also used in research and development settings to explore its potential applications in creating new therapeutic agents and materials, given its unique structure and reactivity.

InChI:InChI=1/C13H9FO2/c14-12-8-10(9-15)6-7-13(12)16-11-4-2-1-3-5-11/h1-9H

Upstream product

• 34036-07-2 3,4 difluorobenzaldehyde 
• 108-95-2 phenol 

Downstream Products

• 913828-97-4 {4-ethyl-5-[5-(3-fluoro-4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methanol 
• 129623-62-7 3-fluoro-4-phenoxybenzoic acid 

Relevant articles and documents

HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS

The present disclosure relates generally to compounds useful in treatment of conditions associated with mutant isocitrate dehydrogenase (mt-IDH), particularly mutant IDH1 enzymes. Specifically, the present invention discloses compound of formula (IA), which exhibits inhibitory activity against mutant IDH1 enzymes. Method of treating conditions associated with excessive activity of mutant IDH1 enzymes with such compound is disclosed. Uses thereof, pharmaceutical composition, and kits are also disclosed.

Discovery of CS-2100, a potent, orally active and S1P3-sparing S1P1 agonist

S1P3-sparing S1P1 agonists have attracted attention as a suppressant of autoimmunity with reduced side effects. Our synthetic efforts and extensive SAR studies led to the discovery of 10b named CS-2100 with the EC50 value of 4.0 nM for human S1P1 and over 5000-fold selectivity against S1P3. The in vivo immunosuppressive efficacy was evaluated in rats on host versus graft reaction and the ID 50 value was determined at 0.407 mg/kg. The docking studies of CS-2100 with the homology model of S1P1 and S1P3 showed that the ethyl group on the thiophene ring of CS-2100 was sterically hindered by Phe263 in S1P3, not in the case of Leu276 in S1P1. This observation gives an explanation for the excellent S1P3-sparing characteristic of CS-2100.