55877-79-7

Basic information

• Product Name: 5-CHLORO-2-METHOXYBENZONITRILE
• Synonyms: 5-CHLORO-2-METHOXYBENZONITRILE;2-METHOXY-5-CHLOROBENZONITRILE;5-chloro-o-anisonitrile;4-Chloro-2-cyanoanisole
• CAS NO: 55877-79-7
• Molecular Formula: C₈H₆ClNO
• Molecular Weight: 167.59
• EINECS: -0
• Product Categories: Aromatic Nitriles;Phenyls & Phenyl-Het;Nitrile;Miscellaneous;Anisoles, Alkyloxy Compounds & Phenylacetates;Chlorine Compounds;Nitriles;Phenyls & Phenyl-Het
• Mol File: 55877-79-7.mol
• Article Data: 5

Chemical Properties

• Melting Point: 96 °C
• Boiling Point: 267℃
• Flash Point: 115℃
• Appearance: /
• Density: 1.25
• Vapor Pressure: 0.00845mmHg at 25°C
• Refractive Index: 1.548
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility: Insoluble in water.
• BRN: 3245801
• CAS DataBase Reference: 5-CHLORO-2-METHOXYBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-CHLORO-2-METHOXYBENZONITRILE(55877-79-7)
• EPA Substance Registry System: 5-CHLORO-2-METHOXYBENZONITRILE(55877-79-7)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-45
• RIDADR: 3276
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 55877-79-7(Hazardous Substances Data)

Usage

Uses

It is employed as an intermediate for pharmaceutical.

InChI:InChI=1/C8H6ClNO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,1H3

Upstream product

• 635-93-8 5-chlorosalicyclaldehyde 
• 6609-56-9 2-methoxy-benzonitrile 
• 13589-72-5 5-chloro-2-hydroxybenzonitrile 
• 74-88-4 methyl iodide 
• 623-12-1 4-chloromethoxybenzene 
• 4885-02-3 Dichloromethyl methyl ether 
• 7035-09-8 5-chloro-2-methoxybenzaldehyde 
• 21663-61-6 2,5-dichlorobenzonitrile 
• 124-41-4 sodium methylate 

Downstream Products

• 1408319-14-1 5-chloro-N-(3-chlorophenyl)-2-methoxybenzothioamide 
• 349434-46-4 5-chloro-N-(3-chlorophenyl)-2-methoxybenzamide 
• 1413929-89-1 5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-methoxybenzothioamide 
• 29568-33-0 2-methoxy-5-chlorobenzoyl chloride 
• 349088-89-7 5-chloro-N-(2-ethylphenyl)-2-methoxybenzamide 
• 181473-92-7 1-(5-chloro-2-methoxyphenyl)methanamine 
• 6342-64-9 2-methoxy-5-chloroacetophenone 
• 73220-38-9 3-bromo-6-chloro-4H-1-benzopyran-4-one 
• 1450-74-4 5-chloro-2-hydroxyacetophenone 
• 1354928-58-7 C₁₇H₁₁ClO₄ 
• 1354928-52-1 C₁₇H₁₁ClO₄ 
• 73220-32-3 C₁₁H₁₂ClNO₂ 
• 1333151-57-7 (Z)-isopropyl 3-(3-(3-chloro-5-methoxyphenyl)-1H-1,2,4-triazol-1-yl)acrylate 

Relevant articles and documents

Room temperature C(sp2)-H oxidative chlorination: Via photoredox catalysis

Photoredox catalysis has been developed to achieve oxidative C-H chlorination of aromatic compounds using NaCl as the chlorine source and Na2S2O8 as the oxidant. The reactions occur at room temperature and exhibit exclusive selectivity for C(sp2)-H bonds over C(sp3)-H bonds. The method has been used for the chlorination of a diverse set of substrates, including the expedited synthesis of key intermediates to bioactive compounds and a drug.

Facile one-pot transformation of arenes into aromatic nitriles under metal-cyanide-free conditions

Electron-rich arenes bearing methyl or methoxy groups on the aromatic ring were treated with dichloromethyl methyl ether and ZnBr2, and then with molecular iodine and aq. ammonia to give the corresponding aromatic nitriles in good yields. Using this method, febuxostat was efficiently prepared from 4-bromophenol in four steps. The method can be used for the preparation of aromatic nitriles from arenes in one pot under metal-cyanide-free conditions. Various electron-rich arenes could be effectively converted into the corresponding aromatic nitriles in good yields, by treatment with ZnBr2 and dichloromethyl methyl ether, followed by reaction with molecular iodine and aq. ammonia.

2-Phenyl-4-(aminomethyl)imidazoles as Potential Antipsychotic Agents. Synthesis and Dopamine D2 Receptor Binding

A series of 2-phenyl-4-(aminomethyl)imidazoles were designed as conformationally restricted analogs of the dopamine D2 selective benzamide antipsychotics.The title compounds were synthesized and tested for blockade of YM-09151 binding in cloned African green monkey dopamine D2 receptor preparations.The binding affinity data thus obtained were compared against that of the benzamides and a previously described series of 2-phenyl-5-(aminomethyl)pyrroles.