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

Base Information

• Chemical Name: Methyl (5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)acetate
• CAS No.: 97180-99-9
• Molecular Formula: C13H9BrO4
• Molecular Weight: 309.1122
• Wikidata: Q76324494
• Mol file: 97180-99-9.mol

Synonyms:BRN 5039117;Methyl (5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)acetate;Acetic acid, (5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester;97180-99-9;C13H9BrO4

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

Chemical Property:

• Vapor Pressure: 7.14E-09mmHg at 25°C
• Boiling Point: 466.3°C at 760 mmHg
• Flash Point: 235.8°C
• Density: 1.669g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 307.96842
• Heavy Atom Count: 18
• Complexity: 417

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 1 articles about Methyl (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: 85.0%

methyl (triphenylphosphoranylidene)acetate (21204-67-1,2605-67-6) + 5-(4-bromo-phenyl)-furan-2,3-dione (55991-70-3) → [5-(4-Bromo-phenyl)-3-oxo-3H-furan-(2Z)-ylidene]-acetic acid methyl ester (97180-99-9)

Guidance literature:

In chloroform; for 0.25h; Heating;

Reference yield: 88.0%

[5-(4-Bromo-phenyl)-3-oxo-3H-furan-(2Z)-ylidene]-acetic acid methyl ester (97180-99-9) → 2,8-Bis-(4-bromo-phenyl)-4,10-dioxo-1,7-dioxa-dispiro[4.0.4.2]dodeca-2,8-diene-11,12-dicarboxylic acid dimethyl ester

Guidance literature:

Irradiation;

Reference yield: 48.0%

[5-(4-Bromo-phenyl)-3-oxo-3H-furan-(2Z)-ylidene]-acetic acid methyl ester (97180-99-9) → [5-(4-Bromo-phenyl)-2-hydroxy-3-oxo-2,3-dihydro-furan-2-yl]-acetic acid methyl ester (139266-66-3)

Guidance literature:

With hydrogenchloride; In acetone; at 40 - 50 ℃; for 1h;

DOI:10.1007/BF00778981

upstream raw materials:

methyl (triphenylphosphoranylidene)acetate

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

Downstream raw materials:

[5-(4-Bromo-phenyl)-2-hydroxy-3-oxo-2,3-dihydro-furan-2-yl]-acetic acid methyl ester