4,6-Diiodo-o-cresol

Base Information

• Chemical Name: 4,6-Diiodo-o-cresol
• CAS No.: 4186-52-1
• Molecular Formula: C7H6I2O
• Molecular Weight: 359.933
• NSC Number: 2895
• DSSTox Substance ID: DTXSID50277568
• Nikkaji Number: J1.569.302I
• Wikidata: Q82008824
• Mol file: 4186-52-1.mol

Synonyms:4,6-Diiodo-o-cresol;4186-52-1;Phenol, 2,4-diiodo-6-methyl-;o-Cresol, 4,6-diiodo-;2,4-diiodo-6-methylphenol;NSC2895;o-Cresol,6-diiodo-;4,6-DIIDOPHENOL;4,6-diiodo-2-methylphenol;Phenol,4-diiodo-6-methyl-;SCHEMBL7873607;NIOSH/GO8175500;DTXSID50277568;NSC 2895;NSC-2895;LS-55377;GO81755000

Chemical Property of 4,6-Diiodo-o-cresol

Chemical Property:

• Vapor Pressure: 0.000997mmHg at 25°C
• Boiling Point: 293.2°Cat760mmHg
• Flash Point: 131.1°C
• Density: 2.427g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 359.85081
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1O)I)I

Technology Process of 4,6-Diiodo-o-cresol

There total 8 articles about 4,6-Diiodo-o-cresol 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: 95.0%

ortho-cresol (95-48-7,77504-84-8) → 2,4-diiodo-6-methyl-phenol (4186-52-1)

Guidance literature:

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

DOI:10.1021/jo00225a079

Reference yield: 89.0%

ortho-cresol (95-48-7,77504-84-8) → 2,4-diiodo-6-methyl-phenol (4186-52-1) + 4-iodo-2-methyl-phenol (60577-30-2)

Guidance literature:

With N-iodo-succinimide; toluene-4-sulfonic acid; In acetonitrile; at 20 ℃; for 14h; regioselective reaction;

DOI:10.1016/j.tetlet.2009.03.128

Reference yield: 16.0%

o-cresol; thallium(I)-(2-methyl-phenolate) (197243-41-7) → 2,4-diiodo-6-methyl-phenol (4186-52-1) + 4-iodo-2-methyl-phenol (60577-30-2) + 6-iodo-2-methyl-phenol (24885-45-8) + ortho-cresol (95-48-7,77504-84-8)

Guidance literature:

With iodine; In dichloromethane; for 48h; Ambient temperature;

DOI:10.1071/c97051

upstream raw materials:

methanol

ortho-cresol

o-cresol; thallium(I)-(2-methyl-phenolate)

ammonia

Downstream raw materials:

(2,4-diiodo-6-methyl-phenoxy)-acetic acid ethyl ester

6-iodo-2-methyl-phenol

<2,4-Diiod-2-methyl-phenoxy>-acethydroxamsaeure

4-iodo-2-methyl-phenol

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