40728-69-6

Basic information

• Product Name: 7-chloro-2-(4-methylphenyl)-4H-3,1-benzoxazin-4-one
• Synonyms: 7-chloro-2-(4-methylphenyl)-4H-3,1-benzoxazin-4-one
• CAS NO: 40728-69-6
• Molecular Formula: C15H10ClNO2
• Molecular Weight: 271.6984
• Mol File: 40728-69-6.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 399.9°Cat760mmHg
• Flash Point: 195.6°C
• Appearance: /
• Density: 1.32g/cm³
• Vapor Pressure: 1.33E-06mmHg at 25°C
• Refractive Index: 1.636
• CAS DataBase Reference: 7-chloro-2-(4-methylphenyl)-4H-3,1-benzoxazin-4-one(CAS DataBase Reference)
• NIST Chemistry Reference: 7-chloro-2-(4-methylphenyl)-4H-3,1-benzoxazin-4-one(40728-69-6)
• EPA Substance Registry System: 7-chloro-2-(4-methylphenyl)-4H-3,1-benzoxazin-4-one(40728-69-6)

Safety Data

• Hazardous Substances Data: 40728-69-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C15H10ClNO2/c1-9-2-4-10(5-3-9)14-17-13-8-11(16)6-7-12(13)15(18)19-14/h2-8H,1H3

Upstream product

• 874-60-2 4-methyl-benzoyl chloride 
• 89-77-0 2-Amino-4-chlorobenzoic acid 
• 823-57-4 2-bromo-5-chloroaniline 

Relevant articles and documents

Pd-Catalyzed Carbonylative Synthesis of 4H-Benzo[d][1,3]Oxazin-4-Ones Using Benzene-1,3,5-Triyl Triformate as the CO Source

A facile synthesis of 4H-benzo[d][1,3]oxazin-4-one derivatives by Pd-catalyzed carbonylative cross-coupling between N-(ortho-bromoaryl)amides and benzene-1,3,5-triyl triformate (TFBen) was developed. This procedure does not require the toxic and flammable gas CO as the carbonyl source and tolerates a wide scope of functional groups. Remarkably, 4H-benzo[d][1,3]oxazin-4-ones incorporated to natural products and drugs can be constructed by this method.

Catalytic aza-wittig reaction of acid anhydride for the synthesis of 4H-benzo[d][1,3]oxazin-4-ones and 4-benzylidene-2-aryloxazol-5(4H)-ones

Compared to the aza-Wittig reaction of aldehydes, ketones, amides, and esters, the aza-Wittig reaction of acid anhydride was always overlooked, which should be an important part of Wittig reactions. Here, the aza-Wittig reaction of anhydride and catalytic aza-Wittig reaction of anhydride were both developed with high yields, which provides an efficient method to synthesize of 4H-benzo[d][1,3]oxazin-4-ones and 4-benzylidene-2-aryloxazol-5(4H)-ones. The strategy of copper-catalyzed reduction of phosphine oxide was used and found effective for this transformation. Additionally, the one-pot catalytic aza-Wittig reaction of carboxylic acids was achieved. Furthermore, NMR experiments and Hammett plot recorded the process of catalytic aza-Wittig reaction of anhydride, which provides direct proof that the copper-catalyzed reduction of waste phosphine oxide is the key step in this transformation.

Synthesis and characterization of quinazoline derivatives: Search for hybrid molecule as diuretic and antihypertensive agents

To explore the pharmacological and structure-activity relationship of a series of N-substituted-(4-oxo-2-substituted-phenylquinazolin-3-(4H)-yl), substituted benzene sulfonamide derivatives (1-25) were synthesized from substituted anthranilic acids derive