2-tert-Butyl-6-chloro-4-iodophenol

Base Information

• Chemical Name: 2-tert-Butyl-6-chloro-4-iodophenol
• CAS No.: 60803-28-3
• Molecular Formula: C10H12ClIO
• Molecular Weight: 310.562
• DSSTox Substance ID: DTXSID10491369
• Wikidata: Q82335851
• Mol file: 60803-28-3.mol

Synonyms:2-tert-Butyl-6-chloro-4-iodophenol;60803-28-3;DTXSID10491369

Chemical Property of 2-tert-Butyl-6-chloro-4-iodophenol

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 309.96214
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-tert-Butyl-6-chloro-4-iodophenol

There total 3 articles about 2-tert-Butyl-6-chloro-4-iodophenol 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: 88.0%

2-tert-Butylphenol (88-18-6) → 2-Chlor-4-iod-6-tert-butylphenol (60803-28-3) + 2-(tert-butyl)-4,6-diiodophenol (60803-26-1)

Guidance literature:

2-tert-Butylphenol; With sodium hydroxide; In methanol; at 20 ℃;

With hydrogenchloride; sodium hypochlorite; sodium thiosulfate; sodium iodide; In methanol; water; at 0 ℃;

DOI:10.1021/acs.joc.8b02690

Reference yield:

2-(tert-butyl)-4-iodophenol (60803-25-0) → 2-Chlor-4-iod-6-tert-butylphenol (60803-28-3)

Guidance literature:

With sulfuryl dichloride;

DOI:10.1021/jo00425a014

Reference yield:

2-bromo-6-tert-butyl-4-iodophenol (60803-27-2) → 2-Chlor-4-iod-6-tert-butylphenol (60803-28-3)

Guidance literature:

Multi-step reaction with 2 steps

1: ICl, AcOH

2: SO₂Cl₂

With sulfuryl dichloride; Iodine monochloride; acetic acid;

DOI:10.1021/jo00425a014

upstream raw materials:

2-(tert-butyl)-4-iodophenol

2-bromo-6-tert-butyl-4-iodophenol

2-tert-Butylphenol

Downstream raw materials:

2-(tert-butyl)-6-chlorophenol