20697-04-5

Basic information

• Product Name: 2-(3-CHLORO-PHENYL)-OXIRANE
• Synonyms: (m-chlorophenyl)oxirane;1-chloro-3-(epoxyethyl)-benzen;3-chloroepoxystyrene;3-chlorostyreneoxide;m-chlorostyreneoxide;META-CHLOROSTYRENEOXIDE;1-Oxiranyl-3-chlorobenzene;Oxirane, 2-(3-chlorophenyl)-
• CAS NO: 20697-04-5
• Molecular Formula: C₈H₇ClO
• Molecular Weight: 154.59
• Mol File: 20697-04-5.mol
• Article Data: 103

Chemical Properties

• Boiling Point: 214.23°C (rough estimate)
• Flash Point: 97.6°C
• Appearance: /
• Density: 1.1310 (rough estimate)
• Vapor Pressure: 0.105mmHg at 25°C
• Refractive Index: 1.5420 (estimate)
• CAS DataBase Reference: 2-(3-CHLORO-PHENYL)-OXIRANE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(3-CHLORO-PHENYL)-OXIRANE(20697-04-5)
• EPA Substance Registry System: 2-(3-CHLORO-PHENYL)-OXIRANE(20697-04-5)

Safety Data

• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:; R43:
• Safety Statements: S26:; S36/37:
• Hazardous Substances Data: 20697-04-5(Hazardous Substances Data)

Usage

General Description

2-(3-chloro-phenyl)-oxirane, also known as 3-Chlorostyrene oxide, is a chemical compound with the molecular formula C8H7ClO. It is an epoxide, which is a type of organic compound that contains a three-membered ring with an oxygen atom. This specific compound has a chloro group attached to a phenyl ring, contributing to its chemical and physical properties. 2-(3-chloro-phenyl)-oxirane is commonly used in the synthesis of various organic compounds, and it may also have potential applications in the pharmaceutical and agricultural industries. As with any chemical compound, proper handling and storage procedures should be followed to ensure safety and regulatory compliance.

InChI:InChI=1/C8H7ClO/c9-7-3-1-2-6(4-7)8-5-10-8/h1-4,8H,5H2/t8-/m0/s1

Upstream product

• 100-13-0 4-nitrostyrene 
• 2039-85-2 3-Chlorostyrene 
• 75-15-0 carbon disulfide 
• 53631-02-0 2-(3-chlorophenyl)-2,3,5,6-tetrahydroimidazo-[2,1-b]thiazole 
• 53631-01-9 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-imidazolidine-2-thione 
• 103866-07-5 2-(2-aminoethyl)amino-1-(3-chlorophenyl)ethylalcohol 
• 587-04-2 m-Chlorobenzaldehyde 
• 2587-00-0 2,6-dichloropyridine N-oxide 
• 873-63-2 m-chlorobenzyl alcohol 
• 280-57-9 1,4-diaza-bicyclo[2.2.2]octane 
• 174699-77-5 (R)?2?bromo?1?(3′?chlorophenyl)ethanol 
• 194721-60-3 (S)-2-bromo-1-(3-chlorophenyl)ethyl acetate 
• 6674-22-2 1,8-diazabicyclo[5.4.0]undec-7-ene 
• 117538-45-1 2-bromo-1-(3-chlorophenyl)ethanol 

Downstream Products

• 142363-66-4 1-(3-chlorophenyl)-2-(n-propylamino)ethanol 
• 80751-53-7 2-[2-(2-Chloro-3,4-dimethoxy-phenyl)-ethylamino]-1-(3-chloro-phenyl)-ethanol 
• 176589-72-3 (R)-1-(3-Chloro-phenyl)-2-[(R)-2-(4-methoxy-phenyl)-1-methyl-ethylamino]-ethanol 
• 136758-99-1 N-[(2(R) 7-methoxy-1,2,3,4-tetrahydronaphth-2-yl)methyl]-(2R)-2-hydroxy-2-(3-chlorophenyl)ethanamine hydrochloride 
• 136759-00-7 N-[(2(S) 7-methoxy-1,2,3,4-tetrahydronaphth-2-yl)methyl]-(2R)-2-hydroxy-2-(3-chlorophenyl)ethanamine hydrochloride 
• 20697-04-5 (R)-meta-chlorostyrene oxide 
• 152008-72-5 (S)-(+)-1-(3-chlorophenyl)-1,2-ethanediol 
• 80051-04-3 (R)-(-)-1-(3-chlorophenyl)-1,2-ethanediol 
• 115648-90-3 (S)-3-chlorostyrene oxide 
• 391901-84-1 (1 R)-2-{[2-(4-Aminophenyl)-1-methylethyl]amino}-1-(3-chlorophenyl)-1-ethanol 

Relevant articles and documents

Synthesis, characterization and crystal structure of a novel tetranuclear oxidovanadium(V) complex derived from N’-(2-hydroxy-3-methoxybenzylidene)isonicotinohydrazide with catalytic property

A novel tetranuclear oxidovanadium(V) complex, [V4O4(OEt)4L4], where L is the dianionic form of N’-(2-hydroxy-3-methoxybenzylidene)isonicotinohydrazide (H2L), has been prepared and characterized by physico-chemical methods and single crystal X-ray diffraction. The V atom in the complex is coordinated by the phenolate oxygen, imino nitrogen and enolate oxygen of one aroylhydrazone ligand, one pyridine nitrogen of another aroylhydrazone ligand, one deprotonated ethanol oxygen, and one oxo group, forming an octahedral coordination. The oxidation of olefins with the complex as the catalyst was evaluated, which indicated that the complex has effective catalytic efficiency in the oxidation of several aliphatic and aromatic substrates by using tert-butyl hydrogen peroxide as oxidant.

X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson’s Disease

Human indoleamine 2,3-dioxygenase 1 (hIDO1) and tryptophan 2,3-dioxygenase (hTDO) have been closely linked to the pathogenesis of Parkinson’s disease (PD); nevertheless, development of dual hIDO1 and hTDO inhibitors to evaluate their potential efficacy against PD is still lacking. Here, we report biochemical, biophysical, and computational analyses revealing that 1H-indazole-4-amines inhibit both hIDO1 and hTDO by a mechanism involving direct coordination with the heme ferrous and ferric states. Crystal structure-guided optimization led to23, which manifested IC50values of 0.64 and 0.04 μM to hIDO1 and hTDO, respectively, and had good pharmacokinetic properties and brain penetration in mice.23showed efficacy against the 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine-induced mouse motor coordination deficits, comparable to Madopar, an anti-PD medicine. Further studies revealed that different from Madopar,23likely has specific anti-PD mechanisms involving lowering IDO1 expression, alleviating dopaminergic neurodegeneration, reducing inflammatory cytokines and quinolinic acid in mouse brain, and increasing kynurenic acid in mouse blood.

Enantiomer Separation of Nitriles and Epoxides by Crystallization with Chiral Organic Salts: Chirality Switching Modulated by Achiral Acids

Enantiomer separation of nitriles and epoxides by inclusion crystal formation with organic-salt type chiral hosts was achieved. The stereochemistry of the preferentially included nitrile could be switched only by changing the achiral carboxylic acid component. Crystallographic analysis of the inclusion crystals reveals that the hydrogen-bonding networks are controlled by the acidity of the phenol group of the acids, which results in chirality switching.