6097-26-3

Basic information

• Product Name: 4-METHOXYPHENACYL THIOCYANATE
• Synonyms: 2-(4-METHOXYPHENYL)-2-OXOETHYL THIOCYANATE;4-METHOXYPHENACYL THIOCYANATE;4-METHOXYPHENACYL THIOCYANATE, 95+%;2-(cyanosulfanyl)-1-(4-Methoxyphenyl)ethan-1-one
• CAS NO: 6097-26-3
• Molecular Formula: C₁₀H₉NO₂S
• Molecular Weight: 207.25
• Mol File: 6097-26-3.mol
• Article Data: 36

Chemical Properties

• Melting Point: 125-127
• Boiling Point: 395.6 °C at 760 mmHg
• Flash Point: 193.1 °C
• Appearance: /
• Density: 1.227 g/cm³
• Vapor Pressure: 1.81E-06mmHg at 25°C
• Refractive Index: 1.571
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 4-METHOXYPHENACYL THIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHOXYPHENACYL THIOCYANATE(6097-26-3)
• EPA Substance Registry System: 4-METHOXYPHENACYL THIOCYANATE(6097-26-3)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22-43
• Safety Statements: 36/37
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 6097-26-3(Hazardous Substances Data)

Usage

General Description

4-Methoxyphenacyl Thiocyanate, also known as C11H9NO2S, is an organic chemical compound. It includes elements such as carbon, hydrogen, nitrogen, oxygen, and sulfur. 4-METHOXYPHENACYL THIOCYANATE, primarily relevant in the field of chemistry, is known for its use in synthesizing other chemicals. It features a thiocyanate functional group, typically characterized by the linkage of sulfur, carbon, and nitrogen atoms. The details about its physical properties, toxicity, or specific usages are not widely available, indicating it may not be a widely-used or well-researched compound.

InChI:InChI=1/C10H9NO2S/c1-13-9-4-2-8(3-5-9)10(12)6-14-7-11/h2-5H,6H2,1H3

Upstream product

• 41068-36-4 2-chloro-4-methoxyacetophenone 
• 333-20-0 potassium thioacyanate 
• 93435-57-5 α-tosyloxy-p-methoxyacetophenone 
• 100-06-1 1-(4-methoxyphenyl)ethanone 
• 15192-76-4 copper(II) thiocyanate 
• 2632-13-5 2-Bromo-4'-methoxyacetophenone 
• 637-69-4 4-Methoxystyrene 
• 1147550-11-5 ammonium thiocyanate 
• 6832-17-3 2-diazo-1-(4-methoxyphenyl)ethanone 
• 2196-99-8 2-chloro-1-(4-methoxyphenyl)ethanone 
• 532-55-8 Benzoyl isothiocyanate 
• 344790-87-0 1-butyl-3-methylimidazolium thiocyanate 
• 540-72-7 sodium thiocyanide 
• 163276-49-1 1-thiocyanatopyrrolidine-2,5-dione 

Downstream Products

• 2104-05-4 4-(4-methoxyphenyl)thiazole-2(3H)-thione 
• 2104-03-2 4-(4-methoxyphenyl)-2-oxo-thiazole 
• 2104-01-0 2-chloro-4-(4-methoxy-phenyl)-thiazole 
• 66373-68-0 1-(4-methoxy-phenyl)-benzo[g]thiazolo[3,2-a]quinazolin-5-one 
• 65679-07-4 4-(4-methoxy-phenyl)-3-naphthalen-2-yl-3H-thiazol-2-ylideneamine 
• 99073-84-4 2-bromo-4-(4-methoxyphenyl)thiazole 
• 2104-03-2 4-(4-methoxyphenyl)thiazol-2-ol 
• 128533-62-0 1-(4-Methoxy-phenyl)-2-(phenyl-hydrazono)-2-thiocyanato-ethanone 
• 128533-63-1 1-(4-Methoxy-phenyl)-2-thiocyanato-2-(p-tolyl-hydrazono)-ethanone 
• 128533-64-2 1-(4-Methoxy-phenyl)-2-[(4-methoxy-phenyl)-hydrazono]-2-thiocyanato-ethanone 
• 343799-14-4 2-{2-[2-(4-Methoxy-phenyl)-2-oxo-ethyl]-isothioureido}-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester 
• 79576-73-1 C₂₀H₁₆N₂O₂S₃ 
• 256661-25-3 2-morpholino-4-(4-methoxyphenyl)thiazole 
• 959-23-9 4'-methoxychalcone 

Relevant articles and documents

Visible-light-promoted thiocyanation of sp2C-H bonds over heterogeneous graphitic carbon nitrides

Mesoporous graphitic carbon nitride (mpg-C3N4) has been developed as a metal-free heterogeneous photocatalyst for thiocyanation transformations. The reaction proceeds efficiently by utilizing air as a green oxidant under mild reaction conditions, which affords SCN-containing compounds in moderate to excellent yields. Meanwhile, the practicality of this protocol is further demonstrated by the reusability of the mpg-C3N4photocatalyst and the scaled-up reaction. Furthermore, detailed mechanistic studies clearly demonstrate the role of oxygen.

Visible-Light-Mediated Additive-Free Decarboxylative Ketonization Reaction of Acrylic Acids: An Access to α-Thiocyanate Ketones

Visible-light-mediated additive-free decarboxylative functionalization of acrylic acids has been developed. The reaction uses inexpensive organic dye 9,10-dicyanoanthracene as a photocatalyst and uses the ubiquitous dioxygen as both an oxygen source and an oxidant. Through this mild and environmentally friendly method, a series of important α-thiocyanate ketones can be generated from easily available acrylic acids and ammonium thiocyanate. In addition, the facile transformation of product α-thiocyanate ketones makes this method have great potential for application in organic and pharmaceutical chemistry.

Photo-sensitized oxy-thiocyanation of terminal alkynes/1,3-aryldienes and their one-pot conversion to 2-hydroxy 4-substituted aryl thiazoles

A regioselective visible light induced synthesis of aryl α-thiocyano ketones/thiocyano alcohols from activated terminal aryl alkynes and aryl 1,3-conjugated dienes was achieved. This mild and non-metallic oxidation is exclusively driven by benign ambient air in the presence of an organic photo-catalyst and NH4SCN. This protocol was also demonstrated at the 5 mmol scale for the synthesis of potentially therapeutic 2-hydroxy 4-substituted arylthiazoles in good yields, signifying its amenability for large-scale application.