Methyl (2E)-2-(9-oxo-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-trien-8-ylidene)acetate

Base Information

• Chemical Name: Methyl (2E)-2-(9-oxo-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-trien-8-ylidene)acetate
• CAS No.: 33350-83-3
• Molecular Formula: C11H9NO4
• Molecular Weight: 219.197
• DSSTox Substance ID: DTXSID40425031

Synonyms:33350-83-3;CL-832268;METHYL (2E)-2-(9-OXO-10-OXA-7-AZABICYCLO[4.4.0]DECA-1,3,5-TRIEN-8-YLIDENE)ACETATE;CBDivE_006380;DTXSID40425031;methyl 2-(2-oxo-2h-benzo[b][1,4]oxazin-3(4h)-ylidene)acetate

Chemical Property of Methyl (2E)-2-(9-oxo-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-trien-8-ylidene)acetate

Chemical Property:

• Vapor Pressure: 1.24E-05mmHg at 25°C
• Boiling Point: 368.8°C at 760 mmHg
• Flash Point: 176.9°C
• Density: 1.395g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 219.05315777
• Heavy Atom Count: 16
• Complexity: 337

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C=C1C(=O)OC2=CC=CC=C2N1

Technology Process of Methyl (2E)-2-(9-oxo-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-trien-8-ylidene)acetate

There total 3 articles about Methyl (2E)-2-(9-oxo-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-trien-8-ylidene)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: 97.0%

2-amino-phenol (95-55-6) + dimethyl acetylenedicarboxylate (762-42-5) → (2-oxo-4H-benzo[1,4]oxazin-3-ylidene)-acetic acid methyl ester (33350-83-3)

Guidance literature:

In methanol; at 20 ℃; for 0.0833333h;

DOI:10.1055/s-0029-1217542

Reference yield: 27.0%

benzoxazole (273-53-0,29791-96-6) + dimethyl acetylenedicarboxylate (762-42-5) → (2-oxo-4H-benzo[1,4]oxazin-3-ylidene)-acetic acid methyl ester (33350-83-3)

Guidance literature:

In acetone; for 8h; Irradiation;

Reference yield:

→ (2-oxo-4H-benzo[1,4]oxazin-3-ylidene)-acetic acid methyl ester (33350-83-3,66628-73-7)

Guidance literature:

Dimethylacetylendicarboxylat, Benzoxazol;

upstream raw materials:

2-amino-phenol

dimethyl acetylenedicarboxylate

benzoxazole

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