25978-74-9

Basic information

• Product Name: METHYL 3-CYANO-4-METHOXYBENZOATE
• Synonyms: METHYL 3-CYANO-4-METHOXYBENZOATE;3-Cyano-4-methoxybenzoic acid methyl ester
• CAS NO: 25978-74-9
• Molecular Formula: C₁₀H₉NO₃
• Molecular Weight: 191.18
• EINECS: -0
• Product Categories: Aromatic Esters
• Mol File: 25978-74-9.mol
• Article Data: 8

Chemical Properties

• Melting Point: 124 °C
• Boiling Point: 339.7 °C at 760 mmHg
• Flash Point: 148.2 °C
• Appearance: light brown solid
• Density: 1.2 g/cm³
• Vapor Pressure: 9.03E-05mmHg at 25°C
• Refractive Index: 1.527
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 2374769
• CAS DataBase Reference: METHYL 3-CYANO-4-METHOXYBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 3-CYANO-4-METHOXYBENZOATE(25978-74-9)
• EPA Substance Registry System: METHYL 3-CYANO-4-METHOXYBENZOATE(25978-74-9)

Safety Data

• Hazard Codes: Xn:Harmful
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 3439
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 25978-74-9(Hazardous Substances Data)

Usage

Uses

Methyl 3-Cyano-4-methoxybenzoate is a useful research chemical.

InChI:InChI=1/C10H9NO3/c1-13-9-4-3-7(10(12)14-2)5-8(9)6-11/h3-5H,1-2H3

Upstream product

• 156001-68-2 methyl 3-cyano-4-hydroxybenzoate 
• 74-88-4 methyl iodide 
• 77-78-1 dimethyl sulfate 
• 99-76-3 methyl 4-hydroxylbenzoate 
• 29415-97-2 methyl 3-bromo-4-hydroxybenzoate 
• 35450-37-4 methyl 3-bromo-4-methoxybenzoate 
• 121-98-2 methyl 4-methoxybenzoate 
• 2150-38-1 methyl 3,4-dimethoxybenzoate 
• 75-86-5 2-hydroxy-2-methylpropanenitrile 

Downstream Products

• 70829-28-6 3-cyano-4-hydroxybenzoic acid 
• 310424-35-2 5-hydroxymethyl-2-methoxy-benzonitrile 
• 1032614-91-7 C₁₇H₁₃FN₂O₄ 
• 1089278-56-7 5-[(2-chloro-4-pyrimidinyl)acetyl]-2-(methyloxy)benzonitrile 
• 121-98-2 methyl 4-methoxybenzoate 
• 1167416-41-2 1,1-dimethylethyl 7-(5-(3-cyano-4-(1-methylethyloxy)phenyl)-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate 
• 117738-82-6 4-methoxy-3-cyanobenzoic acid 
• 1119449-73-8 methyl 3-[amino(hydroxyimino)methyl]-4-methoxybenzoate 
• 1255149-05-3 3-(4-{[(1S)-1-(4-fluorophenyl)ethyl]amino}phenyl)-2-furan carboxylic acid-2-(3-cyano-4-hydroxybenzoyl)hydrazide 
• 1285572-76-0 3-(3-cyano-4-hydroxy-5-methylsulfanylbenzoyl)-1,1-dioxo-1,2-dihydro-3H-1,3-benzothiazole 
• 1285573-25-2 3-(3-cyano-5-ethylsulfanyl-4-hydroxybenzoyl)-1,1-dioxo-2,3-dihydro-1,3-benzothiazole 
• 1285574-82-4 3-(3-cyano-4-hydroxy-5-iodobenzoyl)-1,1-dioxo-2,3-dihydro-1,3-benzothiazole 
• 1285574-83-5 3-(3-cyano-4-methoxy-5-methylsulfanylbenzoyl)-1,1-dioxo-2,3-dihydro-1,3-benzothiazole 
• 1285572-78-2 3-(3-cyano-4-hydroxy-5-methylsulfonylbenzoyl)-1,1-dioxo-2,3-dihydro-1,3-benzothiazole 

Relevant articles and documents

Arene Cyanation via Cation-Radical Accelerated-Nucleophilic Aromatic Substitution

Herein we describe a cation radical-accelerated-nucleophilic aromatic substitution (CRA-SNAr) of alkoxy arenes utilizing a highly oxidizing acridinium photoredox catalyst and acetone cyanohydrin, an inexpensive and commercially available cyanide source. This cyanation is selective for carbon-oxygen (C-O) bond functionalization and is applicable to a range of methoxyarenes and dimethoxyarenes. Furthermore, computational studies provide a model for predicting regioselectivity and chemoselectivity in competitive C-H and C-O cyanation of methoxyarene cation radicals.

3-cyano-4-alcoholate benzoate synthesis method

The invention discloses a 3-cyano-4-alcoholate benzoate synthesis method. The general formula for the reaction is shown in the description, wherein R1 is isopropyl or other alkyls, and R2 is alkyl. The reaction condition of the method is mild, the raw materials are easy to get, the yield is high, the post-processing is simple, and the method provides an important reference for the industrial production.

A facile color-tuning strategy for constructing a library of Ir(III) complexes with fine-tuned phosphorescence from bluish green to red using a synergetic substituent effect of -OCH3 and -CN at only the C-ring of C∧N ligand

By simply grafting a -CN group and/or a -OCH3 group onto the meta- and/or para-site of the C-ring, a series of Ir(iii) complexes bearing a similar molecular platform of bis(1,2-diphenyl-1H-benzimidazolato-N,C2′)iridium(iii)(acetylacetonate), but showing fine-tuned phosphorescence covering nearly the whole window of the visible spectrum with a wide color-tuning range of 109 nm was acquired. With the help of DFT calculations, it was revealed that if the C-related arene moiety of the C∧N ligand (C-ring) contributes substantially to both the HOMO and LUMO of an Ir(iii) complex, the concurrent introduction of an electron-donating -OCH3 and an electron-withdrawing -CN groups on the C-ring at the meta- and para-sites relative to the Ir atom may lead to a favorable synergetic substituent effect on the color-tuning direction. This may represent a facile yet effective molecular design strategy for Ir(iii) complexes with a desirous emission color. A bluish green organic light-emitting diode (OLED) based on one of the objective complexes displayed a maximum current efficiency of 62.1 cd A-1, an external quantum efficiency of 19.8%, and a brightness of 48-040 cd m-2, implying that high-performance red and blue OLED phosphors as well as libraries of Ir(iii) complexes bearing similar molecular platforms may be developed through this -OCH3 and -CN synergetic substitution strategy.