Ethyl (3-Oxo-2,3-Dihydro-4h-1,4-Benzoxazin-4-Yl)acetate

Base Information

• Chemical Name: Ethyl (3-Oxo-2,3-Dihydro-4h-1,4-Benzoxazin-4-Yl)acetate
• CAS No.: 26673-71-2
• Molecular Formula: C12H13NO4
• Molecular Weight: 235.23600
• DSSTox Substance ID: DTXSID90390068
• Nikkaji Number: J1.035.494C
• Wikidata: Q27467656
• Mol file: 26673-71-2.mol

Synonyms:26673-71-2;Ethyl (3-Oxo-2,3-Dihydro-4h-1,4-Benzoxazin-4-Yl)acetate;ethyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate;4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester;Ethyl 2-(3-oxo-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)acetate;SCHEMBL2627034;DTXSID90390068;Ethyl 2-(2,3-dihydro-3-oxobenzo[b][1,4]oxazin-4-yl)acetate;MFCD00268750;AKOS000674553;CS-0336115;SR-01000363119;SR-01000363119-1;Q27467656;(3-oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)acetic acid ethyl ester;3-Oxo-2,3-dihydro-4H-1,4-benzoxazine-4-acetic acid ethyl ester;XXL

Chemical Property of Ethyl (3-Oxo-2,3-Dihydro-4h-1,4-Benzoxazin-4-Yl)acetate

Chemical Property:

• PSA: 55.84000
• LogP: 1.04010
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 235.08445790
• Heavy Atom Count: 17
• Complexity: 305

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-(2,3-dihydro-3-oxobenzo[b][1,4]oxazin-4-yl)acetate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CN1C(=O)COC2=CC=CC=C21

Technology Process of Ethyl (3-Oxo-2,3-Dihydro-4h-1,4-Benzoxazin-4-Yl)acetate

There total 6 articles about Ethyl (3-Oxo-2,3-Dihydro-4h-1,4-Benzoxazin-4-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: 98.0%

3,4-dihydro-3-oxo-2H-1,4-benzoxazine (5466-88-6) + ethyl bromoacetate (105-36-2) → ethyl 2-(3-oxo-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)acetate (26673-71-2)

Guidance literature:

3,4-dihydro-3-oxo-2H-1,4-benzoxazine; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.25h;

ethyl bromoacetate; In N,N-dimethyl-formamide; at 90 ℃;

DOI:10.1002/cmdc.201800739

Reference yield: 85.0%

3,4-dihydro-3-oxo-2H-1,4-benzoxazine (5466-88-6) + chloroacetic acid ethyl ester (105-39-5) → ethyl 2-(3-oxo-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)acetate (26673-71-2)

Guidance literature:

With potassium carbonate; In acetone; for 15h; Reflux;

DOI:10.21608/ejchem.2019.16920.2030

Reference yield:

2-amino-phenol (95-55-6) → ethyl 2-(3-oxo-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)acetate (26673-71-2)

Guidance literature:

Multi-step reaction with 3 steps

1: Na₂CO₃ / CHCl₃ / 3 h / Ambient temperature

2: K₂CO₃ / dimethylformamide / 3 h / 80 °C

3: 30 percent / NaH / dimethylformamide / Ambient temperature

With sodium hydride; sodium carbonate; potassium carbonate; In chloroform; N,N-dimethyl-formamide;

DOI:10.1016/S0223-5234(99)80020-8

upstream raw materials:

3,4-dihydro-3-oxo-2H-1,4-benzoxazine

ethyl bromoacetate

2-amino-phenol

2-bromo-N-(2-hydroxyphenyl)acetamide

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