2-Iodo-4-methylphenol

Base Information

• Chemical Name: 2-Iodo-4-methylphenol
• CAS No.: 16188-57-1
• Molecular Formula: C7H7IO
• Molecular Weight: 234.036
• European Community (EC) Number: 878-710-2
• DSSTox Substance ID: DTXSID20346917
• Nikkaji Number: J801.824C
• Wikidata: Q82120300
• Mol file: 16188-57-1.mol

Synonyms:2-iodo-4-methylphenol

Chemical Property of 2-Iodo-4-methylphenol

Chemical Property:

• Melting Point: 35°C
• Refractive Index: 1.5331
• Boiling Point: 241.17°C (rough estimate)
• PKA: 8.82±0.18(Predicted)
• PSA: 20.23000
• Density: 1.6840
• LogP: 2.30520
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 233.95416
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

97% ^*data from raw suppliers

2-Iodo-4-methylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)O)I

Technology Process of 2-Iodo-4-methylphenol

There total 13 articles about 2-Iodo-4-methylphenol 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: 99.9%

p-cresol (106-44-5) → 2-iodo-4-methylphenol (16188-57-1)

Guidance literature:

With N-iodo-succinimide; toluene-4-sulfonic acid; In acetonitrile; at 0 - 10 ℃; for 3h;

Reference yield: 81.0%

3-amino-4-hydroxytoluene (95-84-1) → 2-iodo-4-methylphenol (16188-57-1)

Guidance literature:

3-amino-4-hydroxytoluene; With hydrogenchloride; In water;

With sodium nitrite; In water; at 5 ℃; for 0.5h;

With potassium iodide; In water; at 5 ℃; Reflux;

DOI:10.1055/s-0037-1610650

Reference yield: 70.0%

p-cresol (106-44-5) → 2,6-diiodo-4-methylphenol (2432-18-0) + 2-iodo-4-methylphenol (16188-57-1)

Guidance literature:

With tert-butylhypochlorite; sodium iodide; In water; acetonitrile; at 0 ℃; for 0.166667h;

DOI:10.1021/jo00225a079

upstream raw materials:

p-cresol

4,4'-dimethyl-2,2'-selanediyl-di-phenol

sodium 4-methylphenoxide

thallium p-cresolate

Downstream raw materials:

2-(2-hydroxy-5-methylphenylthio)benzoic acid

6-methylflavone

(Z)-2-benzylidene-5-methylbenzofuran-3(2H)-one

2-iodo-4-methylphenyl-p-toluenesulfonate

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