2-Bromo-6-iodobenzoic acid

Base Information

• Chemical Name: 2-Bromo-6-iodobenzoic acid
• CAS No.: 1022128-96-6
• Molecular Formula: C7H4BrIO2
• Molecular Weight: 326.916
• Hs Code.: 2916399090
• European Community (EC) Number: 812-794-3
• DSSTox Substance ID: DTXSID50698491
• Nikkaji Number: J3.633.741I
• Wikidata: Q82628725
• Mol file: 1022128-96-6.mol

Synonyms:2-bromo-6-iodobenzoic acid;1022128-96-6;2-?Bromo-?6-?iodo-?benzoic acid;2-Bromo-6-iodobenzoicacid;SCHEMBL14661744;Benzoic acid, 2-bromo-6-iodo-;DTXSID50698491;PTQGEYMPMWQTDM-UHFFFAOYSA-N;XQB12896;MFCD11036149;AKOS016014420;2-Bromo-6-iodobenzoic acid, AldrichCPR;AS-41741;CS-0036113;FT-0726429;J3.633.741I;A853506;J-508468

Chemical Property of 2-Bromo-6-iodobenzoic acid

Chemical Property:

• Boiling Point: 352.7±37.0 °C(Predicted)
• PKA: 1.51±0.10(Predicted)
• PSA: 37.30000
• Density: 2.331±0.06 g/cm3(Predicted)
• LogP: 2.75190
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 325.84394
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-6-iodobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-6-iodobenzoic acid

There total 2 articles about 2-Bromo-6-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: 90.0%

2-bromobenzoic-acid (88-65-3) → 2-bromo-6-iodobenzoic acid (1022128-96-6)

Guidance literature:

With N-iodo-succinimide; palladium diacetate; In N,N-dimethyl-formamide; at 100 ℃; for 12h; Sealed tube;

DOI:10.1039/c9ra02525a

Reference yield:

1-Bromo-3-iodobenzene (591-18-4) + carbon dioxide (124-38-9,18923-20-1) → 2-bromo-6-iodobenzoic acid (1022128-96-6) + m-bromobenzoic acid (585-76-2)

Guidance literature:

1-Bromo-3-iodobenzene; With lithium diisopropyl amide; In tetrahydrofuran; at -100 ℃;

carbon dioxide; In tetrahydrofuran; at -100 - 20 ℃; for 2h;

DOI:10.1021/ol8026957

Reference yield: 100.0%

2-bromo-6-iodobenzoic acid (1022128-96-6) + methyl iodide (74-88-4) → methyl 2-bromo-6-iodobenzoate

Guidance literature:

With potassium carbonate; In acetone; at 40 ℃; for 5h;

DOI:10.1039/c9ra02525a

upstream raw materials:

2-bromobenzoic-acid

1-Bromo-3-iodobenzene

carbon dioxide

Downstream raw materials:

2-bromo-6-iodobenzenamine

tert-butyl 4-[1-(2-bromo-6-iodobenzoyl)-2-(ethoxycarbonyl)hydrazinyl]piperidine-1-carboxylate

C₁₉H₂₄F₂N₄O₂

C₂₀H₂₆F₂N₄O₂