3,5-DIMETHYL-4-IODOPHENOL

Base Information

• Chemical Name: 3,5-DIMETHYL-4-IODOPHENOL
• CAS No.: 80826-86-4
• Molecular Formula: C8H9IO
• Molecular Weight: 248.063
• Hs Code.: 2908199090
• European Community (EC) Number: 676-831-3
• DSSTox Substance ID: DTXSID40371241
• Nikkaji Number: J1.486.183A
• Wikidata: Q72470714
• Mol file: 80826-86-4.mol

Synonyms:3,5-Xylenol,4-iodo- (6CI);3,5-Dimethyl-4-iodophenol;4-Iodo-3,5-dimethylphenol;

Chemical Property of 3,5-DIMETHYL-4-IODOPHENOL

Chemical Property:

• Vapor Pressure: 0.00101mmHg at 25°C
• Melting Point: 129 °C
• Refractive Index: 1.629
• Boiling Point: 293 °C at 760 mmHg
• PKA: 9.59±0.23(Predicted)
• Flash Point: 131 °C
• PSA: 20.23000
• Density: 1.74 g/cm³
• LogP: 2.61360
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Light Sensitive
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 247.96981
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

98%min ^*data from raw suppliers

3,5-Dimethyl-4-iodophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1I)C)O

Technology Process of 3,5-DIMETHYL-4-IODOPHENOL

There total 5 articles about 3,5-DIMETHYL-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: 90.0%

3,5-Dimethylphenol (108-68-9,50356-23-5) → 4-iodo-3,5-dimethylphenol (80826-86-4)

Guidance literature:

With iodine; oxygen; copper(II) nitrate; In water; at 80 ℃; for 3h; under 760.051 Torr; regioselective reaction; Green chemistry;

DOI:10.1016/j.catcom.2017.01.019

Reference yield: 53.0%

3,5-Dimethylphenol (108-68-9,50356-23-5) → 2-iodo-3,5-dimethyl-phenol (24242-79-3) + 4-iodo-3,5-dimethylphenol (80826-86-4)

Guidance literature:

With tert.-butylhydroperoxide; potassium iodide; In methanol; water; at 20 ℃; for 8h;

DOI:10.1016/j.tetlet.2010.02.074

Reference yield:

3,5-Dimethylphenol (108-68-9,50356-23-5) → 2,4-diiodo-3,5-dimethyl-phenol + 2-iodo-3,5-dimethyl-phenol (24242-79-3) + 4-iodo-3,5-dimethylphenol (80826-86-4)

Guidance literature:

With dihydrogen peroxide; acetic acid; potassium iodide; In water; at 20 ℃; for 6h;

DOI:10.1080/00397910802238767

upstream raw materials:

3,5-Dimethylphenol

Downstream raw materials:

2,6-dimethyl-4-hydroxybenzaldehyde

4-iodo-3,5-dimethylphenyl acetate

3-(2',6'-dimethyl-4'-hydroxyphenyl)propionic acid

methyl 3-(2',6'-dimethyl-4'-acetoxyphenyl)acrylate

Refernces

• 1、 Coman, Anca G.,Paraschivescu, Codruta C.,Hadade, Niculina D.,Juncu, Andrei,Vlaicu, Ovidiu,Popescu, Costin-Ioan,Matache, Mihaela. "New Acyloxymethyl Ketones: Useful Probes for Cysteine Protease Profiling". . p. 3917 - 3923. Retrieved 2016/11/11.
• 2、 Samant, Bhupesh S.,Bhagwat, Sunil S.. "Selectivity enhancement of aromatic halogenation reactions at the micellar interface: Effect of highly ionic media". scheme or table. p. 1039 - 1044. Retrieved 2012/10/18.