5-Tert-butyl-2-iodophenol

Base Information

• Chemical Name: 5-Tert-butyl-2-iodophenol
• CAS No.: 20942-70-5
• Molecular Formula: C10H13IO
• Molecular Weight: 276.117
• DSSTox Substance ID: DTXSID501312499
• Mol file: 20942-70-5.mol

Synonyms:5-TERT-BUTYL-2-IODOPHENOL;20942-70-5;5-(tert-Butyl)-2-iodophenol;MFCD15527200;Phenol, 5-(1,1-dimethylethyl)-2-iodo-;2-iodo-5-tert.butylphenol;5-tert-butyl-2-iodo-phenol;SCHEMBL813469;COYVTCLXNSGLFE-UHFFFAOYSA-N;DTXSID501312499;2-iodo-5-(1,1-dimethylethyl)phenol;AKOS027255584;MB14746;AM805235;AS-58556;SY125173;CS-0038658;FT-0732264;EN300-132528;Z1269154708

Chemical Property of 5-Tert-butyl-2-iodophenol

Chemical Property:

• PSA: 20.23000
• LogP: 3.29430
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 276.00111
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99%, ^*data from raw suppliers

5-(tert-Butyl)-2-iodophenol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-Tert-butyl-2-iodophenol

There total 2 articles about 5-Tert-butyl-2-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: 98.0%

3-tert-butylphenyol (585-34-2) → 2-iodo-5-(1,1-dimethylethyl)phenol (20942-70-5)

Guidance literature:

With potassium iodate; iodine; In water; acetic acid; for 48h; Ambient temperature;

DOI:10.1016/S0040-4039(00)99529-7

Reference yield: 84.0%

→ 2-iodo-5-(1,1-dimethylethyl)phenol (20942-70-5)

Guidance literature:

Reference yield: 97.0%

2-iodo-5-(1,1-dimethylethyl)phenol (20942-70-5) + methyl iodide (74-88-4) → 4-(tert-butyl)-1-iodo-2-methoxybenzene (934180-29-7)

Guidance literature:

With potassium carbonate; In acetonitrile; Reflux; Inert atmosphere;

DOI:10.1002/anie.201914025

upstream raw materials:

3-tert-butylphenyol

Downstream raw materials:

2-bromo-5-(1,1-dimethylethyl)phenol

2,4-dibromo-5-(tert-butyl)phenol

4-bromo-3-tret-butylphenol

4-bromo-5-tert-butyl-2-iodophenol