Bis[3-(ethoxycarbonyl)phenyl]iodanium bromide

Base Information

• Chemical Name: Bis[3-(ethoxycarbonyl)phenyl]iodanium bromide
• CAS No.: 76028-81-4
• Molecular Formula: Br*C₁₈H₁₈IO₄
• Molecular Weight: 505.147
• DSSTox Substance ID: DTXSID40604107
• Mol file: 76028-81-4.mol

Synonyms:76028-81-4;Bis[3-(ethoxycarbonyl)phenyl]iodanium bromide;SCHEMBL10854705;DTXSID40604107

Chemical Property of Bis[3-(ethoxycarbonyl)phenyl]iodanium bromide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 503.94332
• Heavy Atom Count: 24
• Complexity: 363

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=CC=C1)[I+]C2=CC=CC(=C2)C(=O)OCC.[Br-]

Technology Process of Bis[3-(ethoxycarbonyl)phenyl]iodanium bromide

There total 2 articles about Bis[3-(ethoxycarbonyl)phenyl]iodanium bromide 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:

3-iodobenzoic acid methyl ester (58313-23-8) → (3-COOEtC6H4)2I(1+)Br(1-) (76028-81-4)

Guidance literature:

3-iodobenzoic acid methyl ester; With sulfuric acid; at 50 - 55 ℃;

With sodium periodate; at 50 - 55 ℃; for 3h;

With potassium bromide; In water;

DOI:10.1039/c1ob05333g

Reference yield:

→ (3-COOEtC6H4)2I(1+)Br(1-) (76028-81-4)

Guidance literature:

Reference yield: 76.0%

pyrrole (109-97-7,30604-81-0) + (3-COOEtC6H4)2I(1+)Br(1-) (76028-81-4) → ethyl 3-(1H-pyrrol-2-yl)benzoate (1351556-97-2)

Guidance literature:

With sodium hydroxide; at 80 ℃; for 10h; under air;

DOI:10.1021/jo202150t

upstream raw materials:

3-iodobenzoic acid methyl ester

Downstream raw materials:

ethyl 3-(2,6-dichloro-9H-purin-9-yl)benzoate

ethyl 3-(1H-pyrrol-2-yl)benzoate