7033-52-5

Basic information

• Product Name: 7-chloro-2-phenyl-4H-3,1-benzoxazin-4-one
• CAS NO: 7033-52-5
• Molecular Formula: C₁₄H₈ClNO₂
• Molecular Weight: 257.6718
• Mol File: 7033-52-5.mol
• Article Data: 30

Chemical Properties

• Boiling Point: 390.4°C at 760 mmHg
• Flash Point: 189.9°C
• Density: 1.35g/cm³
• Vapor Pressure: 2.65E-06mmHg at 25°C
• Refractive Index: 1.649
• CAS DataBase Reference: 7-chloro-2-phenyl-4H-3,1-benzoxazin-4-one(CAS DataBase Reference)
• NIST Chemistry Reference: 7-chloro-2-phenyl-4H-3,1-benzoxazin-4-one(7033-52-5)
• EPA Substance Registry System: 7-chloro-2-phenyl-4H-3,1-benzoxazin-4-one(7033-52-5)

Safety Data

• Hazardous Substances Data: 7033-52-5(Hazardous Substances Data)

Upstream product

• 98-88-4 benzoyl chloride 
• 89-77-0 2-Amino-4-chlorobenzoic acid 
• 13421-13-1 4-chloro-2-iodobenzoic acid 
• 100-46-9 benzylamine 
• 1026-33-1 2-(benzylamino)-4-chlorobenzoic acid 
• 495-18-1 Benzohydroxamic acid 
• 19226-36-9 3-phenyl-5H-1,4,2-dioxazol-5-one 
• 676486-15-0 1-(4-chlorophenyl)-2-(dimethyl(oxo)-λ⁶-sulfanylidene)ethan-1-one 
• 591-50-4 iodobenzene 
• 201230-82-2 carbon monoxide 
• 6828-35-9 5-chloro-2-iodoaniline 
• 1663-61-2 triethoxymethylbenzene 
• 57824-25-6 1-benzoyl-6-chloro-1H-benzotriazole 
• 6341-92-0 6-chloroisatin 

Downstream Products

• 1323873-32-0 7-chloro-3-(4-methanesulfonyl-phenyl)-2-phenyl-3H-quinazolin-4-one 
• 1323873-19-3 7-chloro-3-(4-methylsulfanyl-phenyl)-2-phenyl-3H-quinazolin-4-one 

Relevant articles and documents

Direct synthesis of benzoxazinones via Cp*Co(III)-catalyzed C–H activation and annulation of sulfoxonium ylides with dioxazolones

A highly novel and direct synthesis of benzoxazinones was developed via Cp*Co(III)-catalyzed C–H activation and [3 + 3] annulation between sulfoxonium ylides and dioxazolones. The reaction is conducted under base-free conditions and tolerates various functional groups. Starting from diverse readily available sulfoxonium ylides and dioxazolones, a variety of benzoxazinones could be synthesized in one step in 32%-75% yields.

From Methaqualone and Beyond: Structure - Activity Relationship of 6-, 7-, and 8-Substituted 2,3-Diphenyl-quinazolin-4(3H)-ones and in Silico Prediction of Putative Binding Modes of Quinazolin-4(3H)-ones as Positive Allosteric Modulators of GABAA

Methaqualone (2-methyl-3-(o-tolyl)-quinazolin-4(3H)-one, MTQ) is a moderately potent positive allosteric modulator (PAM) of GABAA receptors (GABAARs). In a previous structure-activity relationship (SAR) study probing the importance of 2- and 3-substituent

4H-Benzo[d][1,3]oxazin-4-ones and Dihydro analogs from substituted anthranilic acids and orthoesters

A one-pot route to 2-alkyl and 2-aryl-4H-benzo[d][1,3]oxazin-4-ones (also known as 4H-3,1-benzoxazin-4-ones) has been developed and studied. The method involves the reaction of aryl-substitutedanthranilic acidswithorthoesters inethanol catalyzedby acetic acid. Additionally,wehave also investigated the reaction under microwave conditions. Not all of the substrates were successful in yielding the target heterocycles as some of the reactions failed to undergo the final elimination. This process led to the isolation of (±)-2-alkyl/aryl-2-ethoxy-1,2-dihydro-4H-benzo[d][1,3]oxazin-4-ones. The formation of the dihydro analogs correlated with the electron density on the aromatic ring: Electron-donating groups favored the 4H- benzo[d][1,3]oxazin-4-ones, while electron-withdrawing groups tended to favor the dihydro product. Substituting a pyridine ring for the benzene ring in the substrate acid suppressed the reaction.