26518-71-8

Basic information

• Product Name: 6-ACETYL-2H-1,4-BENZOXAZIN-3(4H)-ONE
• Synonyms: 6-ACETYL-2H-1,4-BENZOXAZIN-3(4H)-ONE;6-ACETYL-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE;6-ACETYL-2H-1,4-BENZOXAZIN-3(4H)-ONE, 98 %;6-Acetyl-2H-1,4-benzoxazin-3-one, 98%;6-Acetyl-2H-1,4-benzoxazine-3(4H)-one;2H-1,4-Benzoxazin-3(4H)-one, 6-acetyl-;6-Acetyl-2H-1,4-benzoxazin-3(4H)-one
• CAS NO: 26518-71-8
• Molecular Formula: C₁₀H₉NO₃
• Molecular Weight: 191.18
• Product Categories: Benzoxazines;Building Blocks;Heterocyclic Building Blocks;Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks
• Mol File: 26518-71-8.mol
• Article Data: 6

Chemical Properties

• Melting Point: 193-195 °C(lit.)
• Boiling Point: 431.3 °C at 760 mmHg
• Flash Point: 214.7 °C
• Appearance: /
• Density: 1.263 g/cm³
• Vapor Pressure: 1.21E-07mmHg at 25°C
• Refractive Index: 1.559
• PKA: 12.06±0.20(Predicted)
• CAS DataBase Reference: 6-ACETYL-2H-1,4-BENZOXAZIN-3(4H)-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-ACETYL-2H-1,4-BENZOXAZIN-3(4H)-ONE(26518-71-8)
• EPA Substance Registry System: 6-ACETYL-2H-1,4-BENZOXAZIN-3(4H)-ONE(26518-71-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 26518-71-8(Hazardous Substances Data)

Usage

Description

6-Acetyl-2H-1,4-benzoxazin-3(4H)-one, also known as 6-acetyl-2H-benzo[b][1,4]oxazin-3(4H)-one, is a valuable organic compound that serves as a versatile building block in the synthesis of various complex organic molecules. It is characterized by its unique chemical structure, which includes a benzoxazinone core with an acetyl group attached to the 6th position. This structure endows it with potential applications in different fields due to its reactivity and functional group compatibility.

Uses

Used in Pharmaceutical Industry:
6-Acetyl-2H-1,4-benzoxazin-3(4H)-one is used as an intermediate compound for the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drugs with potential therapeutic applications, including those targeting cancer, inflammation, and other diseases.
Used in Agrochemical Industry:
In the agrochemical industry, 6-acetyl-2H-1,4-benzoxazin-3(4H)-one is used as a starting material for the development of novel pesticides and herbicides. Its chemical properties make it suitable for the creation of compounds that can effectively control pests and weeds in agricultural settings.
Used in Dye and Pigment Industry:
6-Acetyl-2H-1,4-benzoxazin-3(4H)-one is utilized as a key component in the production of dyes and pigments. Its chemical structure contributes to the development of new colorants with improved properties, such as enhanced color strength, lightfastness, and stability.
Used in Material Science:
In the field of material science, 6-acetyl-2H-1,4-benzoxazin-3(4H)-one is employed as a building block for the synthesis of advanced materials with unique properties. These materials can be used in various applications, such as in the development of new polymers, coatings, and composites with improved mechanical, thermal, and chemical resistance.
Used in Research and Development:
6-Acetyl-2H-1,4-benzoxazin-3(4H)-one is also used as a research compound in academic and industrial laboratories. Its unique structure and reactivity make it an interesting subject for studying various chemical reactions and exploring new synthetic pathways, which can lead to the discovery of novel compounds with potential applications in various industries.

InChI:InChI=1/C10H9NO3/c1-6(12)7-2-3-9-8(4-7)11-10(13)5-14-9/h2-4H,5H2,1H3,(H,11,13)

Upstream product

• 5466-88-6 3,4-dihydro-3-oxo-2H-1,4-benzoxazine 
• 75-36-5 acetyl chloride 
• 27320-78-1 (4-acetyl-2-nitro-phenoxy)-acetic acid ethyl ester 
• 6322-56-1 4'-hydroxy-3'-nitroacetophenone 
• 108-24-7 acetic anhydride 

Downstream Products

• 91119-93-6 6-Acetyl-4-ethoxycarbonylmethyl-2H-1,4-benzoxazin-3(4H)-one 
• 91119-97-0 2-(6-acetyl-3-oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propionic acid ethyl ester 
• 1164553-54-1 6-[3-phenylprop-2-enoyl]-2H-1,4-benzoxazin-3(4H)-one 
• 159459-52-6 6-[1-aminoethyl]-2H-1,4-benzoxazin-3(4H)-one 
• 477312-23-5 (+/-)-1-(3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)ethylamine 
• 697287-41-5 N-[1-(4-cyclopropylmethyl-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-ethyl]-3-(2-fluoro-phenyl)-acrylamide 
• 697287-41-5 (R)-N-[1-(4-cyclopropylmethyl-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-ethyl]-3-(2-fluoro-phenyl)-acrylamide 
• 352667-67-5 6-[2-(2-chloro-phenyl)-2,3-dihydro-benzo[b][1,4]thiazepin-4-yl]-4H-benzo[1,4]oxazin-3-one 

Relevant articles and documents

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A series of novel 6-cinnamoyl-2H-benzo[b][1,4]oxazin-3(4H)-one derivatives was synthesized. The structures of compounds were characterized by 1H NMR, IR, and MS. Moreover, representative crystal structure was determined by X-ray diffraction ana

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