2-Iodo-6-(trifluoromethyl)phenol

Base Information

• Chemical Name: 2-Iodo-6-(trifluoromethyl)phenol
• CAS No.: 149209-48-3
• Molecular Formula: C7H4F3IO
• Molecular Weight: 288.00600
• DSSTox Substance ID: DTXSID80435038
• Wikidata: Q72484732
• Mol file: 149209-48-3.mol

Synonyms:2-iodo-6-(trifluoromethyl)phenol;149209-48-3;6-Iodo-2-trifluoromethylphenol;2-Iodo-6-trifluoromethylphenol;Phenol, 2-iodo-6-(trifluoromethyl)-;2-Iodo-6-trifluoromethyl-phenol;SCHEMBL1603128;DTXSID80435038;2-(trifluoromethyl)-6-iodophenol;2-iodo-6-(trifluoromethyl)-phenol;MFCD16999866;AKOS022171618;MB25561;AS-78095;EN300-193737;F11691;Z1269132683

Chemical Property of 2-Iodo-6-(trifluoromethyl)phenol

Chemical Property:

• Boiling Point: 186℃
• Flash Point: 66℃
• PSA: 20.23000
• Density: 2.007
• LogP: 3.01560
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 287.92590
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-iodo-6-(trifluoromethyl)phenol ^*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)O)C(F)(F)F

Technology Process of 2-Iodo-6-(trifluoromethyl)phenol

There total 3 articles about 2-Iodo-6-(trifluoromethyl)phenol 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-(trifluoromethyl)phenol (444-30-4) → 2-iodo-6-(trifluoromethyl)phenol (149209-48-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / p-TsOH*H₂O / diethyl ether / 18 h / Heating

2: 1) BuLi, 2) iodine / 1) THF, -78 deg C, 30 min, 2) a) THF, -78 deg C, 10 min, b) to room temperature

With n-butyllithium; iodine; toluene-4-sulfonic acid; In diethyl ether;

DOI:10.1021/jo00061a048

Reference yield:

C12H12F3IO2 (845536-43-8) → 2-iodo-6-(trifluoromethyl)phenol (149209-48-3)

Guidance literature:

With hydrogenchloride; water; In acetone;

DOI:10.1016/j.bmcl.2009.07.135

Reference yield:

2-[2-(trifluoromethyl)phenoxy]tetrahydro-2H-pyrane (149209-47-2) → 2-iodo-6-(trifluoromethyl)phenol (149209-48-3)

Guidance literature:

With n-butyllithium; iodine; Yield given. Multistep reaction; 1) THF, -78 deg C, 30 min, 2) a) THF, -78 deg C, 10 min, b) to room temperature;

DOI:10.1021/jo00061a048

upstream raw materials:

2-[2-(trifluoromethyl)phenoxy]tetrahydro-2H-pyrane

2-(trifluoromethyl)phenol

C₁₂H₁₂F₃IO₂

Downstream raw materials:

1-[4-(tert-Butyl-dimethyl-silanyloxy)-3,5-bis-trifluoromethyl-phenyl]-hex-5-yn-1-one

2,6-bis(trifluoromethyl)-4-bromophenol TBDMS ether

2,6-bis(trifluoromethyl)-4-bromophenol

2,6-bis(trifluoromethyl)phenol

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