methyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)acetate

Base Information

• Chemical Name: methyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)acetate
• CAS No.: 73219-44-0
• Molecular Formula: C₁₁H₁₁NO₄
• Molecular Weight: 221.213
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60403194
• Mol file: 73219-44-0.mol

Synonyms:73219-44-0;methyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)acetate;methyl 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetate;methyl (3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate;MFCD03427107;methyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate;Methyl (2H-1,4-benzoxazin-3(4H)-one-2-yl) acetate;DTXSID60403194;ZXHVFOBSOSTVJS-UHFFFAOYSA-N;BBL011897;STK650119;STK802589;AKOS002675832;AKOS005580729;AKOS016041973;VS-03107;CS-0006474;EU-0031463;Methyl(2H-1 4-benzoxazin-3(4H)-one-2-yl;AS-871/42802011;SR-01000103172;methyl (3-hydroxy-2H-1,4-benzoxazin-2-yl)acetate;SR-01000103172-1;Methyl(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate;Methyl (2H-1,4-benzoxazin-3(4H)-one-2-yl) acetate, 97%;methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-2-yl)acetate

Chemical Property of methyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)acetate

Chemical Property:

• Vapor Pressure: 2.44E-06mmHg at 25°C
• Melting Point: 144-147 °C(lit.)
• Refractive Index: 1.528
• Boiling Point: 391.6°C at 760 mmHg
• Flash Point: 190.6°C
• PSA: 64.63000
• Density: 1.246g/cm³
• LogP: 1.08720
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 221.06880783
• Heavy Atom Count: 16
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

methyl(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1C(=O)NC2=CC=CC=C2O1

Technology Process of methyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)acetate

There total 4 articles about methyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)acetate 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: 82.0%

maleic anhydride (108-31-6) + methanol (67-56-1) + 2-amino-phenol (95-55-6) → methyl α-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-2-yl)acetate (73219-44-0)

Guidance literature:

With triethylamine; Heating;

Reference yield:

methanol (67-56-1) + (2Z)-4-[(2-hydroxyphenyl)amino]-4-oxobut-2-enoic acid (59256-46-1,1161742-66-0) → methyl α-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-2-yl)acetate (73219-44-0) + (3'-oxo-3',4'-dihydro-2'H-1',4'-benzoxazin-2'-yl)acetic acid (106660-11-1)

Guidance literature:

With triethylamine; for 3h; Heating;

Reference yield:

maleic anhydride (108-31-6) + 2-amino-phenol (95-55-6) → methyl α-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-2-yl)acetate (73219-44-0)

Guidance literature:

With triethylamine; In methanol; ice-water;

upstream raw materials:

N-(2-hydroxy-phenyl)-maleamic acid methyl ester

maleic anhydride

methanol

2-amino-phenol

Downstream raw materials:

[2-(4-fluoro-phenyl)-4H-5-oxa-3,9b-diaza-cyclopenta[a]naphthalen-4-yl]-acetic acid methyl ester

{4-[2-(4-fluoro-phenyl)-2-oxo-ethyl]-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-2-yl}-acetic acid methyl ester