3,5-Dibromo-2-iodobenzoic acid

Base Information

• Chemical Name: 3,5-Dibromo-2-iodobenzoic acid
• CAS No.: 15396-40-4
• Molecular Formula: C₇H₃Br₂IO₂
• Molecular Weight: 405.812
• DSSTox Substance ID: DTXSID301306501

Synonyms:3,5-DIBROMO-2-IODOBENZOIC ACID;15396-40-4;3,5-Dibromo-2-iodo-benzoic acid;DTXSID301306501;AKOS000109270

Chemical Property of 3,5-Dibromo-2-iodobenzoic acid

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 405.75240
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C(=O)O)I)Br)Br

Technology Process of 3,5-Dibromo-2-iodobenzoic acid

There total 2 articles about 3,5-Dibromo-2-iodobenzoic acid 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:

2-amino-3,5-dibromobenzoic acid (609-85-8) → 3,5-dibromo-2-iodo-benzoic acid (15396-40-4)

Guidance literature:

With sulfuric acid; sodium nitrite;

Reference yield:

→ 3,5-dibromo-2-iodo-benzoic acid (15396-40-4)

Guidance literature:

With sulfuric acid; copper; copper(II) sulfate; potassium iodide; Erhitzen des Reaktionsgemisches;

Reference yield: 80.0%

N-(4-(4-fluorophenyl)-6-isopropyl-5-((prop-2- ynyloxy)methyl)pyrimidin-2-yl)-N-methylmethanesulfonamide + 3,5-dibromo-2-iodo-benzoic acid (15396-40-4) → N-(5-[{(5,7-dibromo-1-oxo-1H-isochromen-3-yl)methoxy}methyl]-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide

Guidance literature:

With copper(l) iodide; potassium carbonate; at 75 - 80 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2020.112335

upstream raw materials:

2-amino-3,5-dibromobenzoic acid

Downstream raw materials:

3,5-dibromo-2-iodo-benzoic acid ethyl ester

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