3598-14-9

Basic information

• Product Name: PHENOXYACETONITRILE
• Synonyms: 2-PHENOXYACETONITRILE;PHENOXYACETONITRILE;Phenoxyacetonirile;Phenoxyacetonitrile,98%;Phenoxymethyl cyanide;Phenoxyacetonitrile 98%
• CAS NO: 3598-14-9
• Molecular Formula: C₈H₇NO
• Molecular Weight: 133.15
• Product Categories: Aromatic Nitriles;C8 to C9;Cyanides/Nitriles;Nitrogen Compounds
• Mol File: 3598-14-9.mol
• Article Data: 24

Chemical Properties

• Boiling Point: 235-238 °C(lit.)
• Flash Point: >230 °F
• Appearance: clear light yellow-brown liquid
• Density: 1.09 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0381mmHg at 25°C
• Refractive Index: n20/D 1.524(lit.)
• Storage Temp.: 2-8°C
• BRN: 2206192
• CAS DataBase Reference: PHENOXYACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: PHENOXYACETONITRILE(3598-14-9)
• EPA Substance Registry System: PHENOXYACETONITRILE(3598-14-9)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36
• RIDADR: 3276
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 3598-14-9(Hazardous Substances Data)

Usage

Description

Phenoxyacetonitrile, also known as 2-phenoxyacetonitrile, is an organic compound that serves as a versatile building block in the synthesis of various pharmaceutical and chemical products. It is a clear light yellow-brown liquid with unique chemical properties that make it suitable for a range of applications.

Uses

Used in Pharmaceutical Industry:
Phenoxyacetonitrile is used as a reactant for the preparation of [[(oxo)pyridazinyl]phenoxy]acetonitrile derivatives, which are known to have vasodilatory effects. These derivatives are valuable in the treatment of cardiovascular diseases, as they help in the relaxation of blood vessels, thereby improving blood flow and reducing blood pressure.
Used in Chemical Synthesis:
Phenoxyacetonitrile is utilized in the synthesis of various compounds, such as 2,4-dihydroxyphenoxyacetophenones, methylthio(phenoxy)acetonitrile, and 2,4-diamino-5-(3,4,5-trimethoxyphenoxy)pyrimidine. These synthesized compounds have potential applications in different industries, including pharmaceuticals, agrochemicals, and materials science.

InChI:InChI=1/C8H7NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2

Upstream product

• 621-88-5 phenoxyacetamide 
• 107-14-2 chloroacetonitrile 
• 108-95-2 phenol 
• 701-99-5 Phenoxyacetyl chloride 
• 590-17-0 cyanomethyl bromide 
• 122-59-8 2-phenoxyacetic acid 
• 2555-49-9 phenoxyacetic acid ethyl ester 
• 32438-31-6 (2,2-diethoxy-ethoxy)-benzene 
• 139-02-6 sodium phenoxide 
• 2120-70-9 2-phenoxyethanal 
• 3229-70-7 phenolate 
• 1758-46-9 2-phenoxyethanamine 
• 75-05-8 acetonitrile 
• 13610-02-1 1-phenoxy-2-propyne 

Downstream Products

• 851443-13-5 1-phenoxy-hexan-2-one 
• 67386-33-8 2-phenoxy-acetimidic acid ethyl ester; hydrochloride 
• 161268-30-0 1-phenoxy-2-butanone 
• 103603-81-2 1-phenoxy-2-pentanone 
• 710328-89-5 4-methyl-1-phenoxy-pent-4-en-2-one 
• 859971-63-4 5-methyl-1-phenoxyhexan-2-one 
• 71617-04-4 1-phenoxyheptan-2-one 
• 721-04-0 2-phenoxy-1-phenylethanone 
• 24896-23-9 5-phenoxymethyltetrazole 
• 35370-80-0 2-phenoxyethanethioamide 
• 122-59-8 2-phenoxyacetic acid 
• 35855-76-6 1-phenoxy-3-phenylpropan-2-one 
• 73014-19-4 1-(2,4-dihydroxyphenyl)-2-phenoxyethan-1-one 
• 15485-59-3 1-Phenoxy-5-dimethylamino-pentanon-⁽²⁾ 

Relevant articles and documents

Direct C(sp3)-H Cyanation Enabled by a Highly Active Decatungstate Photocatalyst

A highly efficient, direct C(sp3)-H cyanation was developed under mild photocatalytic conditions. The method enabled the direct cyanation of various C(sp3)-H substrates with excellent functional group tolerance. Notably, complex natural products and bioactive compounds were efficiently cyanated.

IODONIUM SALT COMPOUND, PHOTOACID GENERATOR AND COMPOSITION CONTAINING THE SAME, AND METHOD FOR MANUFACTURING DEVICE

PROBLEM TO BE SOLVED: To provide an iodonium salt compound which can be used as a chemical amplification type photoacid generator for resist and a photocationic polymerization initiator, has high sensitivity to an i-line at a wavelength of 365 nm, and has high solubility to an organic solvent and a resin. SOLUTION: A new iodonium salt compound is represented by the following iodonium salts 2, 5 and 10. SELECTED DRAWING: Figure 1 COPYRIGHT: (C)2019,JPOandINPIT

A mineralogically-inspired silver-bismuth hybrid material: An efficient heterogeneous catalyst for the direct synthesis of nitriles from terminal alkynes

The synthesis and characterization of a silver-containing hybrid material is reported as a novel heterogeneous noble metal catalyst. In order to eliminate the need for traditional immobilization techniques, and to create a solid material with structurally-bound silver catalytic centers, the layered structure of a naturally occurring mineral served as the basis of the initial catalyst design. The novel material was prepared by means of the urea-mediated homogeneous precipitation of the corresponding metal nitrates, and was fully characterized by means of diverse instrumental techniques (X-ray diffractometry, Raman, IR, UV-Vis, EPR, X-ray photoelectron spectroscopies, thermal methods as well as atomic force, scanning and transmission electron microscopies). The as-prepared material exhibited outstanding activity in silver-catalyzed CC bond activation to yield organic nitriles directly from terminal alkynes with less environmental concerns as compared to the classical synthesis methods. The effects of the reaction time, the temperature, as well as the role of various solvents, nitrogen sources and additives were carefully scrutinized in order to achieve high-yielding and selective nitrile formation. The heterogeneous nature of the reaction was verified and the solid catalyst was recycled and reused numerous times without loss of its activity or degradation of its structure, thereby offering a sustainable synthetic methodology.