85169-02-4

Basic information

• Product Name: 3-(4-FLUOROPHENOXY)PROPIONITRILE 97
• Synonyms: 3-(4-FLUOROPHENOXY)PROPIONITRILE 97;3-(4-fluorophenoxy)propiononitrile;Einecs 285-945-9
• CAS NO: 85169-02-4
• Molecular Formula: C₉H₈FNO
• Molecular Weight: 165.1643232
• EINECS: 285-945-9
• Mol File: 85169-02-4.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 274 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.165 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.000982mmHg at 25°C
• Refractive Index: n20/D 1.501(lit.)
• CAS DataBase Reference: 3-(4-FLUOROPHENOXY)PROPIONITRILE 97(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-FLUOROPHENOXY)PROPIONITRILE 97(85169-02-4)
• EPA Substance Registry System: 3-(4-FLUOROPHENOXY)PROPIONITRILE 97(85169-02-4)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 85169-02-4(Hazardous Substances Data)

Usage

General Description

3-(4-FLUOROPHENOXY)PROPIONITRILE 97 is a specialized biochemical compound with the chemical formula C9H8FNO. It contains fluorine, an element known for its reactivity and use in various chemical reactions. As a synthesized compound, it often comes in a purity of 97%, indicating a high concentration of the substance, often used in research and scientific experiments. Details regarding its physical properties, safety information, or potential uses are generally found on material safety data sheets provided by manufacturers. The number 97 denotes the purity level of this compound which is often used in the scientific industry.

InChI:InChI=1/C9H8FNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2

Upstream product

• 371-41-5 4-Fluorophenol 
• 107-13-1 acrylonitrile 

Downstream Products

• 1579-78-8 3-(4-fluoro-phenoxy)propionic acid 
• 116753-54-9 3-(4-fluorophenoxy)propan-1-amine 
• 69684-83-9 (+/-)-sorbinil 
• 66892-34-0 6-fluoro-4-chromanone 
• 67146-05-8 sorbinil 
• 1220893-39-9 6-fluoro-2-phenylchroman-4-one 

Relevant articles and documents

Acid activated montmorillonite K-10 mediated intramolecular acylation: Simple and convenient synthesis of 4-chromanones

3-Aryloxyproionic acids undergo intramolecular cyclization in the presence of AA.Mont.K-10 in toluene under reflux for 30–45 min in good to excellent yields. Phenyl ring bearing various substituents at the ortho, meta, para positions undergo this cyclization reaction. This method involves simple work up and amenable for large scale preparations. The heterogeneous acid treated catalyst can be regenerated and used for up to three cycles with minimum loss of activity.

Synthesis of Flavanones via Palladium(II)-Catalyzed One-Pot β-Arylation of Chromanones with Arylboronic Acids

A total of 47 flavanones were expediently synthesized via one-pot β-arylation of chromanones, a class of simple ketones possessing chemically unactivated β sites, with arylboronic acids via tandem palladium(II) catalysis. This reaction provides a novel route to various flavanones, including natural products such as naringenin trimethyl ether, in yields up to 92percent.

Process for preparing 6-fluoro-4-chromanone using 3-(4-fluorophenoxy)propionitrile

The present invention relates to 3-(4-fluorophenoxy)propionitrile having the formula (I): STR1 a process for preparing 3-(4-fluorophenoxy)propionitrile having the formula (I) which comprises reacting 4-fluorophenol and acrylonitrile in the presence of a tertiary amine, a process for preparing 6-fluoro-4-chromanone having the formula (II): STR2 which comprises reacting 3-(4-fluorophenoxy)propionitrile having the formula (I) with an acid, and a process for preparing 6-fluoro-4-chromanone having the formula (II) which comprises reacting 4-fluorophenol with acrylonitrile in the presence of a catalyst to give 3-(4-fluorophenoxy)propionitrile having the formula (I), which is then reacted with an acid. 6-Fluoro-4-chromanone is an important intermediate for the synthesis of (S)-2,3-dihydro-6-fluoro-spiro[4H-1-benzopyran-4,4'-imidazolidine]-2',5'dione (USAN: sorbinil).