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

General Description

6-Acetyl-2H-1,4-benzoxazin-3(4H)-one, also referred to as 6-acetyl-2H-benzo[b][1,4]oxazin-3(4H)-one, is a useful organic building block.

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 
• 6322-56-1 4'-hydroxy-3'-nitroacetophenone 
• 108-24-7 acetic anhydride 
• 27320-78-1 (4-acetyl-2-nitro-phenoxy)-acetic acid ethyl ester 

Downstream Products

• 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 
• 943994-23-8 4,4,4-trifluoro-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)butane-1,3-dione 
• 6238-95-5 6-ethyl-2H-benzo[b][1,4]oxazin-3(4H)-one 
• 1454580-22-3 6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one 
• 924999-25-7 6-[4-(4-fluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one 
• 1454580-23-4 6-[4-(4-fluoro-2-methylphenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one 
• 949398-83-8 6-(3-(3,5-dimethoxyphenyl)acryloyl)-2H-benzo[b][1,4]oxazin-3(4H)-one 
• 1007743-18-1 6-(3-(2,4-dimethoxyphenyl)acryloyl)-2H-benzo[b][1,4]oxazin-3(4H)-one 
• 1609463-55-9 6-(3-(4-(benzyloxy)phenyl)acryloyl)-2H-benzo[b][1,4]oxazin-3(4H)-one 
• 749924-20-7 6-(3-(4-chlorophenyl)acryloyl)-2H-benzo[b][1,4]oxazin-3(4H)-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

Design, synthesis, and structure-activity relationships of dihydrofuran-2-one and dihydropyrrol-2-one derivatives as novel benzoxazin-3-one-based mineralocorticoid receptor antagonists

Dihydrofuran-2-one and dihydropyrrol-2-one derivatives were identified as novel, potent and selective mineralocorticoid receptor (MR) antagonists by the structure-based drug design approach utilizing the crystal structure of MR/compound complex. Introduct

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