1-Bromo-3-(tert-butyl)-5-iodobenzene

Base Information

• Chemical Name: 1-Bromo-3-(tert-butyl)-5-iodobenzene
• CAS No.: 186772-43-0
• Molecular Formula: C10H12BrI
• Molecular Weight: 339.014
• European Community (EC) Number: 968-041-5
• DSSTox Substance ID: DTXSID80466701
• Nikkaji Number: J2.207.974C
• Wikidata: Q82293317
• Mol file: 186772-43-0.mol

Synonyms:1-Bromo-3-(tert-butyl)-5-iodobenzene;186772-43-0;3-Bromo-5-iodo-tert-butylbenzene;Benzene, 1-bromo-3-(1,1-dimethylethyl)-5-iodo-;1-BROMO-3-TERT-BUTYL-5-IODOBENZENE;MFCD18089329;C10H12BrI;SCHEMBL21986188;DTXSID80466701;1-Bromo-3-(t-butyl)-5-iodobenzene;BS-50748;SY357235;CS-0173618;F50549;A853971

Chemical Property of 1-Bromo-3-(tert-butyl)-5-iodobenzene

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 337.91671
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Bromo-3-(tert-butyl)-5-iodobenzene

There total 6 articles about 1-Bromo-3-(tert-butyl)-5-iodobenzene 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: 69.0%

2-bromo-4-tert-butyl-6-iodo-aniline (191983-33-2) → 1-bromo-3-(tert-butyl)-5-iodobenzene (186772-43-0)

Guidance literature:

With sulfuric acid; sodium nitrite; In ethanol; benzene; for 1.5h; Heating;

DOI:10.1016/S0040-4020(01)00779-7

Reference yield: 60.0%

1,3-dibromo-5-t-butylbenzene (129316-09-2) → 1-bromo-3-(tert-butyl)-5-iodobenzene (186772-43-0)

Guidance literature:

1,3-dibromo-5-t-butylbenzene; With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 1h;

With iodine; In tetrahydrofuran; diethyl ether; hexane; at -78 - 20 ℃; for 16h;

Reference yield:

2-bromo-4-tert-butylaniline (103273-01-4) → 1-bromo-3-(tert-butyl)-5-iodobenzene (186772-43-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / benzyltrimethylammonium dichloroiodate; CaCO₃ / CH₂Cl₂; methanol / 312 h / Heating

2: 69 percent / aq. H₂SO₄; NaNO₂ / benzene; ethanol / 1.5 h / Heating

With sulfuric acid; N,N,N-trimethylbenzenemethanaminium dichloroiodate; calcium carbonate; sodium nitrite; In methanol; ethanol; dichloromethane; benzene;

DOI:10.1016/S0040-4020(01)00779-7

upstream raw materials:

2-bromo-4-tert-butyl-6-iodo-aniline

4-tert-Butylaniline

2-bromo-4-tert-butylaniline

4-tert-butylacetanilide

Downstream raw materials:

1-(trimethylsilyl)-2-(3-bromo-5-tert-butylphenyl)acetylene

1-bromo-3-tert-butyl-5-[2-[tris(isopropyl)silyl]ethynyl]benzene

2-{3-tert-butyl-5-[(triisopropylsilanyl)-ethynyl]-phenyl}-oxirane-2-carbaldehyde

2-{3-tert-butyl-5-[(triisopropylsilanyl)-ethynyl]-phenyl}-prop-2-en-1-ol