16499-58-4

Basic information

• Product Name: 7-(TRIFLUOROMETHYL)QUINAZOLIN-4(3H)-ONE
• Synonyms: 7-(TRIFLUOROMETHYL)QUINAZOLIN-4(3H)-ONE;7-(trifluoroMethyl)quinazolin-4(1H)-one;7-(TrifluoroMethyl)quinazolin-4-ol
• CAS NO: 16499-58-4
• Molecular Formula: C₉H₅F₃N₂O
• Molecular Weight: 214.14
• Mol File: 16499-58-4.mol
• Article Data: 10

Chemical Properties

• Melting Point: 225-227 °C(Solv: ethanol (64-17-5))
• Boiling Point: 290.0±50.0 °C(Predicted)
• Appearance: /
• Density: 1.51±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 0.13±0.20(Predicted)
• CAS DataBase Reference: 7-(TRIFLUOROMETHYL)QUINAZOLIN-4(3H)-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 7-(TRIFLUOROMETHYL)QUINAZOLIN-4(3H)-ONE(16499-58-4)
• EPA Substance Registry System: 7-(TRIFLUOROMETHYL)QUINAZOLIN-4(3H)-ONE(16499-58-4)

Safety Data

• Hazardous Substances Data: 16499-58-4(Hazardous Substances Data)

Usage

Description

7-(TRIFLUOROMETHYL)QUINAZOLIN-4(3H)-ONE, with the chemical formula C9H5F3N2O, is a heterocyclic compound that features a quinazolin-4(3H)-one core with a trifluoromethyl group attached at the 7th position. This unique structure endows it with potential biological activities and makes it a promising candidate in medicinal chemistry and drug development. The trifluoromethyl group contributes additional chemical and physical properties, broadening its scope for research and applications across various fields.

Uses

Used in Medicinal Chemistry:
7-(TRIFLUOROMETHYL)QUINAZOLIN-4(3H)-ONE is used as a key intermediate in the synthesis of pharmaceuticals for its potential to exhibit biological activities that can be harnessed for therapeutic purposes.
Used in Drug Development:
As a compound with a quinazolin-4(3H)-one core, 7-(TRIFLUOROMETHYL)QUINAZOLIN-4(3H)-ONE is utilized in drug development to create new medications, potentially targeting a range of diseases and conditions.
Used in Agrochemicals Synthesis:
7-(TRIFLUOROMETHYL)QUINAZOLIN-4(3H)-ONE is used as a starting material in the synthesis of agrochemicals, where its unique structure and properties can contribute to the development of effective crop protection agents.
Used in Research and Development:
7-(TRIFLUOROMETHYL)QUINAZOLIN-4(3H)-ONE is employed in research and development settings to explore its chemical properties, reactivity, and potential applications in various industries, including but not limited to pharmaceuticals and agrochemicals.
Used in Chemical Property Studies:
7-(TRIFLUOROMETHYL)QUINAZOLIN-4(3H)-ONE is used in studies focused on understanding the effects of the trifluoromethyl group on the chemical and physical properties of heterocyclic compounds, which can lead to innovations in material science and chemical engineering.

Upstream product

• 64-18-6 formic acid 
• 778-94-9 2-nitro-4-trifluoromethyl-benzonitrile 
• 402-13-1 2-amino-4-trifluoromethylbenzoic acid 
• 77287-34-4 formamide 
• 67-56-1 methanol 
• 713-41-7 2-amino-4-(trifluoromethyl)benzamide 

Downstream Products

• 129190-40-5 2,6-bis(4'-benzylpiperidin-1'-ylmethyl)-4-(7''-trifluoromethylquinazolin-4''-ylamino)phenol 
• 129190-32-5 2,6-bis(dipentylaminomethyl)-4-(7'-trifluoromethylquinazolin-4'-ylamino)phenol 
• 129190-38-1 2,6-bis(3',5'-dimethylpiperidin-1'-ylmethyl)-4-(7''-trifluoromethylquinazolin-4''-ylamino)phenol 
• 129190-36-9 2,6-bis(3'-methylpiperidin-1'-ylmethyl)-4-(7''-trifluoromethylquinazolin-4''-ylamino)phenol 
• 129190-37-0 2,6-bis(4'-methylpiperidin-1'-ylmethyl)-4-(7''-trifluoromethylquinazolin-4''-ylamino)phenol 
• 129190-35-8 2,6-bis(piperidin-1'-ylmethyl)-4-(7''-trifluoromethylquinazolin-4''-ylamino)phenol 
• 129190-30-3 2,6-bis(dipropylaminomethyl)-4-(7'-trifluoromethylquinazolin-4'-ylamino)phenol 
• 129210-19-1 2,6-bis(pyrrolidin-1'-ylmethyl)-4-(7''-trifluoromethylquinazolin-4''-ylamino)phenol 
• 129190-34-7 2,6-bis(N-butyl-N-methylaminomethyl)-4-(7'-trifluoromethylquinazolin-4'-ylamino)phenol 
• 129190-29-0 2,6-bis(diethylaminomethyl)-4-(7'-trifluoromethylquinazolin-4'-ylamino)phenol 
• 129190-28-9 2,6-bis(dimethylaminomethyl)-4-(7'-trifluoromethylquinazolin-4'-ylamino)phenol 
• 16499-65-3 4-chloro-7-trifluoromethyl-quinazoline 
• 374556-30-6 N-[3-(4,5-dimethyl-1H-imidazol-1-yl)phenyl]-7-(trifluoromethyl)-4-quinazolinamine 
• 374556-29-3 N-[3-(1,2-dimethyl-1H-imidazol-5-yl)phenyl]-7-(trifluoromethyl)-4-quinazolinamine 

Relevant articles and documents

Self-catalyzed phototandem perfluoroalkylation/cyclization of unactivated alkenes: Synthesis of perfluoroalkyl-substituted quinazolinones

A novel visible-light-induced radical tandem trifluoromethylation/cyclization of unactivated alkenes with sodium perfluoroalkanesulfinates (Rf = CF3, C3F7, C4F9, C6F13, C8F17) under air atmosphere has been developed. A range of quinazolinones containing unactivated alkene moiety and sodium perfluoroalkanesulfinates were compatible with this transformation, leading to a variety of perfluoroalkyl-substituted quinazoline alkaloids. Remarkably, the experiment can be carried out without any metal catalyst, strong oxidant, or external photosensitizer.

Photo-triggered self-catalyzed fluoroalkylation/cyclization of unactivated alkenes: Synthesis of quinazolinones containing the CF2R group

A novel photo-triggered self-catalyzed fluoroalkylation/cyclization of quinazolinones containing unactivated alkenes with various fluoroalkyl bromides has been developed. This transformation exhibits excellent substrate generality with respect to both the coupling partners. Of note is that this is the first example describing the Csp3-Br bond homolysis of alkyl bromides via a substrate (quinazolinones) induced energy transfer process. Additionally, the mild conditions, tolerance to a wide range of functional groups and operational simplicity make this protocol practical for the synthesis of fluorine-containing ring-fused quinazolinones. This journal is

HARMFUL ARTHROPOD CONTROL METHOD USING HETEROCYCLIC COMPOUND

PROBLEM TO BE SOLVED: To provide a method for controlling a harmful arthropod. SOLUTION: The compound shown by the formula (I) [in the formula, Q represents the group, etc. represented by the formula Q1, Z represents an oxygen atom, etc., A1 re