6-Methyl-2H-1,4-benzoxazin-3(4H)-one

Base Information

• Chemical Name: 6-Methyl-2H-1,4-benzoxazin-3(4H)-one
• CAS No.: 39522-26-4
• Molecular Formula: C9H9 N O2
• Molecular Weight: 163.17
• Hs Code.: 2934999090
• European Community (EC) Number: 623-787-8
• DSSTox Substance ID: DTXSID20192653
• Nikkaji Number: J2.816.750D
• Wikidata: Q83065312
• ChEMBL ID: CHEMBL485691
• Mol file: 39522-26-4.mol

Synonyms:6-Methyl-2H-1,4-benzoxazin-3(4H)-one;39522-26-4;6-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one;6-methyl-4H-1,4-benzoxazin-3-one;6-methyl-2,4-dihydro-1,4-benzoxazin-3-one;2H-1,4-Benzoxazine-3(4H)-one, 6-methyl-;6-Methyl-2H-1,4-benzoxazine-3(4H)-one;CHEMBL485691;6-METHYL-4H-BENZO[1,4]OXAZIN-3-ONE;MFCD01321311;SCHEMBL279594;DTXSID20192653;JSBZPNRRLJLZBE-UHFFFAOYSA-N;BDBM50270676;STK317994;AKOS003392315;AB09061;CCG-321495;6-Methyl-2H-1,4-benzooxazine-3(4H)-one;CS-0085207;EU-0063551;FT-0680323;F87920;3W-0266;6-Methyl-2H-1,4-benzoxazin-3(4H)-one, 98%;J-518885;6-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE

Chemical Property of 6-Methyl-2H-1,4-benzoxazin-3(4H)-one

Chemical Property:

• Vapor Pressure: 8.42E-05mmHg at 25°C
• Melting Point: 207-209 °C(lit.)
• Boiling Point: 340.8°Cat760mmHg
• Flash Point: 159.9°C
• PSA: 38.33000
• Density: 1.198g/cm³
• 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:

97% ^*data from raw suppliers

6-Methyl-2H-1,4-benzoxazin-3(4H)-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)OCC(=O)N2

Technology Process of 6-Methyl-2H-1,4-benzoxazin-3(4H)-one

There total 21 articles about 6-Methyl-2H-1,4-benzoxazin-3(4H)-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: 98.4%

glycolamide (598-42-5) + 3,4-Dichlorotoluene (95-75-0) → 6-methyl-4H-benzo[1,4]oxazin-3-one (39522-26-4)

Guidance literature:

With copper acetylacetonate; potassium hydroxide; N,N`-dimethylethylenediamine; In dichloromethane; N,N-dimethyl-formamide; at 60 ℃; for 5h; Reagent/catalyst;

Reference yield: 95.0%

2-(2-chloro-4-methylphenoxy)acetamide (1248651-95-7) → 6-methyl-4H-benzo[1,4]oxazin-3-one (39522-26-4)

Guidance literature:

With chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II); caesium carbonate; In 1,4-dioxane; at 110 ℃; for 2h; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1039/c7ra09160e

Reference yield: 94.3%

methanol (67-56-1) + (2-hydroxy-5-methyl-phenyl)-carbamic acid ethyl ester → 6-methyl-4H-benzo[1,4]oxazin-3-one (39522-26-4)

Guidance literature:

With silica gel; potassium nitrate; for 0.333333h; Reagent/catalyst; Concentration; Microwave irradiation;

upstream raw materials:

2-<(2-chloroacetyl)amino>-4-methylphenol

(4-methyl-2-nitro-phenoxy)-acetic acid

chloroacetyl chloride

Cresidine

Downstream raw materials:

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

4-[2-(4-Chloro-phenyl)-2-oxo-ethyl]-6-methyl-4H-benzo[1,4]oxazin-3-one

4-[2-(4-Methoxy-phenyl)-2-oxo-ethyl]-6-methyl-4H-benzo[1,4]oxazin-3-one

[4-Methyl-2-(3-trifluoromethyl-benzoylamino)-phenoxy]-acetic acid