methyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

Base Information

• Chemical Name: methyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
• CAS No.: 179950-77-7
• Molecular Formula: C₁₁H₁₁NO₄
• Molecular Weight: 221.213
• DSSTox Substance ID: DTXSID60443095
• Mol file: 179950-77-7.mol

Synonyms:179950-77-7;methyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate;Methyl 2-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carboxylate;methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxylate;GC-0717;SCHEMBL6994553;DTXSID60443095;TZBHFXRCAVZUCQ-UHFFFAOYSA-N;MFCD11100232;AKOS005072736;Methyl 3,4-dihydro-2-methyl-3-oxo-2H-benzo[b][1,4]oxazine-6-carboxylate;E84247;6-methoxycarbonyl-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine;(+/-)-2-methyl-3-oxo-6-(methoxycarbonyl)-3,4-dihydro-2h-1,4-benzoxazine;Methyl2-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carboxylate

Chemical Property of methyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

Chemical Property:

• Melting Point: 159-161°
• Boiling Point: 407.1±45.0 °C(Predicted)
• PKA: 12.09±0.40(Predicted)
• Density: 1.244±0.06 g/cm3(Predicted)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 221.06880783
• Heavy Atom Count: 16
• Complexity: 304

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(=O)NC2=C(O1)C=CC(=C2)C(=O)OC

Technology Process of methyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

There total 7 articles about methyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate 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: 91.0%

methyl 3-(2-bromopropanamido)-4-hydroxybenzoate → (+/-)-2-methyl-3-oxo-6-(methoxycarbonyl)-3,4-dihydro-2H-1,4-benzoxazine (179950-77-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 15h;

Reference yield: 71.0%

methyl 3-amino-4-hydroxybenzoate (536-25-4) → (+/-)-2-methyl-3-oxo-6-(methoxycarbonyl)-3,4-dihydro-2H-1,4-benzoxazine (179950-77-7)

Guidance literature:

With sodium hydrogencarbonate; In ethyl acetate; for 0.5h; Ambient temperature;

DOI:10.1248/cpb.46.1716

Reference yield: 50.8%

methyl 3-amino-4-hydroxybenzoate (536-25-4) + Ethyl 2-bromopropionate (535-11-5,41978-69-2) → (+/-)-2-methyl-3-oxo-6-(methoxycarbonyl)-3,4-dihydro-2H-1,4-benzoxazine (179950-77-7)

Guidance literature:

methyl 3-amino-4-hydroxybenzoate; With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 1.41667h;

Ethyl 2-bromopropionate; In tetrahydrofuran; N,N-dimethyl-formamide; at 0 - 45 ℃; for 17h;

upstream raw materials:

methyl 3-amino-4-hydroxybenzoate

2-chloropropionyl chloride

Ethyl 2-bromopropionate

4-fluoro-3-nitro-benzoic acid methyl ester

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