18354-35-3

Basic information

• Product Name: 4-Fluorobenzoyl isocyanate
• Synonyms: 4-Fluorobenzoyl isocyanate
• CAS NO: 18354-35-3
• Molecular Formula: C₈H₄FNO₂
• Molecular Weight: 165.1212632
• Mol File: 18354-35-3.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 213.8 °C at 760 mmHg
• Flash Point: 79.2 °C
• Appearance: /
• Density: 1.2870
• Vapor Pressure: 0.161mmHg at 25°C
• Refractive Index: 1.527
• CAS DataBase Reference: 4-Fluorobenzoyl isocyanate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Fluorobenzoyl isocyanate(18354-35-3)
• EPA Substance Registry System: 4-Fluorobenzoyl isocyanate(18354-35-3)

Safety Data

• Hazardous Substances Data: 18354-35-3(Hazardous Substances Data)

Usage

Description

4-Fluorobenzoyl isocyanate is a chemical compound with the formula C8H4FNO2, characterized by its highly reactive isocyanate group. It is a colorless to pale yellow liquid at room temperature, known for its versatility in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds containing fluorobenzoyl moieties.

Uses

Used in Pharmaceutical Industry:
4-Fluorobenzoyl isocyanate is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to form active drug molecules with specific therapeutic properties.
Used in Agrochemical Industry:
4-Fluorobenzoyl isocyanate is used as a building block in the development of agrochemicals, contributing to the creation of effective compounds for crop protection and pest control.
Used in Organic Synthesis:
4-Fluorobenzoyl isocyanate is utilized as a versatile reagent in organic synthesis, particularly for the production of compounds that incorporate fluorobenzoyl moieties, enhancing their chemical and biological properties.
It is important to handle 4-Fluorobenzoyl isocyanate with care due to its reactivity and potential to cause irritation to the skin, eyes, and respiratory system.

InChI:InChI=1/C8H4FNO2/c9-7-3-1-6(2-4-7)8(12)10-5-11/h1-4H

Upstream product

• 79-37-8 oxalyl dichloride 
• 824-75-9 p-fluorobenzamide 
• 456-22-4 4-Fluorobenzoic acid 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 917-61-3 sodium isocyanate 
• 403-43-0 4-fluorobenzoyl chloride 

Downstream Products

• 1188298-68-1 5-(2-(4-fluorophenyl)-5-(pyridin-4-yl)oxazol-4-yl)-3-methoxypyridin-2-amine 
• 1188301-84-9 5-(5-bromo-2-(4-fluorophenyl)oxazol-4-yl)-3-methoxypyridin-2-amine 
• 1188301-82-7 5-(2-(4-fluorophenyl)oxazol-4-yl)-3-methoxypyridin-2-amine 
• 897027-51-9 2-(4-fluorophenyl)-1,3-oxazol-4-yl trifluoromethanesulfonate 
• 897027-68-8 2-(4-fluorophenyl)oxazol-4(5H)-one 
• 21631-72-1 [2-(4-fluoro-phenyl)-4-methoxy-oxazol-5-yl]-phenyl-methanone 
• 18354-46-6 2-Acetyl-2-(4-fluorbenzoyloxy)-propionsaeureamid) 
• 132981-04-5 1-(4-Fluoro-benzoyl)-3-[(S)-3-(2,3,5,6-tetrahydro-imidazo[2,1-b]thiazol-6-yl)-phenyl]-urea 
• 21631-69-6 5-benzoyl-2-(4-fluoro-phenyl)-oxazol-4-one 
• 18354-42-2 2--5-acetyl-5-methyl-1,3-oxazolin-4-on 
• 18354-38-6 N-(p-Fluor-benzoyl)-N'-phenyl-harnstoff 

Relevant articles and documents

Scalable Synthetic Strategy for Unsymmetrical Trisubstituted s-Triazines

A scalable synthetic strategy to produce a large variety of unsymmetrical trisubstituted 1,3,5-triazines was developed. This protocol applied in situ formed acyl isocyanate from amide to react with amidine, introducing two substituents to the 1,3,5-triazinone ring with a low production cost and a simple workup procedure. The scalability of this method was demonstrated by translating a small-scale procedure to a multi-kilogram-scale synthesis. Chlorination and a further coupling reaction with various nucleophiles could provide unsymmetrical trisubstituted 1,3,5-triazines bearing diverse functional groups.

Synthetic method for aryl formyl isocyanate

The invention relates to a preparation method, and mainly relates to a synthetic method for aryl formyl isocyanate, which includes: (1) dropwise adding an aryl formamide solution, dissolved in an organic solvent, to a bis(trichloromethyl)carbonate solution; (2) slowly heating the mixture to a high temperature of 60-180 DEG C, and at the temperature, completely dropwise adding the rest of the bis(trichloromethyl)carbonate to the solution in the step (1) within 0.5-5 h, and then continuously performing the reaction for 1-6 h, after the reaction is finished, recycling the organic solvent, and performing pressure-reduced distillation to the organic solvent to prepare the aryl formyl isocyanate. The method overcome the problems of poor safety and high investment cost due to use of oxalyl chloride or carbonyl chloride in the prior art. The method has reasonable processes, is environment-friendly, low-cost, safe and reliable, is high in yield of the aryl formyl isocyanate, is low in generation of waste water, waste gas and solid wastes, and is suitable for industrial production.

Novel Heterocyclic Compounds and Uses Thereof

New substituted heterocyclic compounds, compositions containing them, and methods of using them for the inhibition of Raf kinase activity are provided. The new compounds and compositions may be used either alone or in combination with at least one additional agent for the treatment of a Raf kinase mediated disorder, such as cancer.