8-Methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

Base Information

• Chemical Name: 8-Methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
• CAS No.: 102065-94-1
• Molecular Formula: C9H9NO2
• Molecular Weight: 163.17300
• DSSTox Substance ID: DTXSID00556951
• Mol file: 102065-94-1.mol

Synonyms:102065-94-1;8-METHYL-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE;2H-1,4-Benzoxazin-3(4H)-one, 8-methyl-;8-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE;8-methyl-4H-1,4-benzoxazin-3-one;8-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE;SCHEMBL1851941;DTXSID00556951;SXJYJSYBBLSIPL-UHFFFAOYSA-N;AKOS005146788;AB53068;CS-0057880;8-METHYL-4H-BENZO[1,4]OXAZIN-3-ONE;F86974

Chemical Property of 8-Methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

Chemical Property:

• PSA: 38.33000
• LogP: 1.46390
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

95% ^*data from raw suppliers

8-METHYL-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)NC(=O)CO2

Technology Process of 8-Methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

There total 8 articles about 8-Methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2-chloro-N-(2-hydroxy-3-methylphenyl)-acetamide (888731-60-0) → 8-methyl-4H-benz[1,4]oxazin-3-one (102065-94-1)

Guidance literature:

With sodium iodide; potassium carbonate; In N,N-dimethyl-formamide;

Reference yield:

6-bromo-8-methyl-2H-1,4-benzoxazin-3(4H)-one (121564-97-4) → 8-methyl-4H-benz[1,4]oxazin-3-one (102065-94-1)

Guidance literature:

With hydrogen; sodium acetate; palladium 10% on activated carbon; In tetrahydrofuran; ethanol; at 20 ℃; for 6h;

Reference yield:

chloroacetyl chloride (79-04-9) + 2-amino-6-methylphenol (17672-22-9) → 8-methyl-4H-benz[1,4]oxazin-3-one (102065-94-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 1,2-dimethoxyethane; at 80 ℃;

DOI:10.1016/j.bmcl.2008.06.104

upstream raw materials:

2-chloro-N-(2-hydroxy-3-methylphenyl)-acetamide

6-bromo-8-methyl-2H-1,4-benzoxazin-3(4H)-one

chloroacetyl chloride

2-amino-6-methylphenol

Downstream raw materials:

8-methyl-3,4-dihydro-2H-benz[1,4]oxazine