Ethyl (5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)acetate

Base Information

• Chemical Name: Ethyl (5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)acetate
• CAS No.: 97181-05-0
• Molecular Formula: C₁₄H₁₁BrO₄
• Molecular Weight: 323.143
• Wikidata: Q76324499

Synonyms:BRN 3552676;Ethyl (5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)acetate;Acetic acid, (5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester;97181-05-0;C14H11BrO4

Chemical Property of Ethyl (5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)acetate

Chemical Property:

• Vapor Pressure: 3.99E-09mmHg at 25°C
• Boiling Point: 473.3°C at 760 mmHg
• Flash Point: 240°C
• Density: 1.602g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 321.98407
• Heavy Atom Count: 19
• Complexity: 431

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=C1C(=O)C=C(O1)C2=CC=C(C=C2)Br
• Isomeric SMILES: CCOC(=O)/C=C/1\C(=O)C=C(O1)C2=CC=C(C=C2)Br

Technology Process of Ethyl (5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)acetate

There total 1 articles about Ethyl (5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)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: 83.0%

ethyl (triphenylphosphoranylidene)acetate (1099-45-2) + 5-(4-bromo-phenyl)-furan-2,3-dione (55991-70-3) → [5-(4-Bromo-phenyl)-3-oxo-3H-furan-(2E)-ylidene]-acetic acid ethyl ester (97181-05-0)

Guidance literature:

In chloroform; for 0.25h; Heating;

Reference yield: 50.0%

[5-(4-Bromo-phenyl)-3-oxo-3H-furan-(2E)-ylidene]-acetic acid ethyl ester (97181-05-0) + 4-methoxy-aniline (104-94-9) → [5-(4-Bromo-phenyl)-2-hydroxy-1-(4-methoxy-phenyl)-3-oxo-2,3-dihydro-1H-pyrrol-2-yl]-acetic acid ethyl ester (123784-31-6) + [5-(4-Bromo-phenyl)-3-oxo-2,3-dihydro-furan-2-yl]-(4-methoxy-phenylamino)-acetic acid ethyl ester (123784-39-4)

Guidance literature:

In toluene; for 0.666667h; Heating;

Reference yield: 14.0%

[5-(4-Bromo-phenyl)-3-oxo-3H-furan-(2E)-ylidene]-acetic acid ethyl ester (97181-05-0) + p-toluidine (106-49-0,12221-03-3) → [5-(4-Bromo-phenyl)-2-hydroxy-3-oxo-1-p-tolyl-2,3-dihydro-1H-pyrrol-2-yl]-acetic acid ethyl ester (123784-30-5) + [5-(4-Bromo-phenyl)-3-oxo-2,3-dihydro-furan-2-yl]-p-tolylamino-acetic acid ethyl ester (123784-38-3)

Guidance literature:

In ethanol; for 0.333333h; Heating;

upstream raw materials:

ethyl (triphenylphosphoranylidene)acetate

5-(4-bromo-phenyl)-furan-2,3-dione

Downstream raw materials:

[5-(4-Bromo-phenyl)-2-hydroxy-3-oxo-1-p-tolyl-2,3-dihydro-1H-pyrrol-2-yl]-acetic acid ethyl ester

[5-(4-Bromo-phenyl)-3-oxo-2,3-dihydro-furan-2-yl]-p-tolylamino-acetic acid ethyl ester

[5-(4-Bromo-phenyl)-2-hydroxy-1-(4-methoxy-phenyl)-3-oxo-2,3-dihydro-1H-pyrrol-2-yl]-acetic acid ethyl ester

[5-(4-Bromo-phenyl)-3-oxo-2,3-dihydro-furan-2-yl]-(4-methoxy-phenylamino)-acetic acid ethyl ester

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