Phenol, 2,4-bis(1,1-dimethylethyl)-6-iodo-

Base Information

• Chemical Name: Phenol, 2,4-bis(1,1-dimethylethyl)-6-iodo-
• CAS No.: 89209-02-9
• Molecular Formula: C14H21IO
• Molecular Weight: 332.225
• European Community (EC) Number: 618-257-8
• DSSTox Substance ID: DTXSID30447005
• Nikkaji Number: J2.460.472A
• Wikidata: Q65653814

Synonyms:Phenol, 2,4-bis(1,1-dimethylethyl)-6-iodo-;89209-02-9;2,4-Di-tert-butyl-6-iodophenol;SCHEMBL6837400;DTXSID30447005;Q65653814

Chemical Property of Phenol, 2,4-bis(1,1-dimethylethyl)-6-iodo-

Chemical Property:

• PSA: 20.23000
• LogP: 4.59180
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 332.06371
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phenol, 2,4-bis(1,1-dimethylethyl)-6-iodo-

There total 3 articles about Phenol, 2,4-bis(1,1-dimethylethyl)-6-iodo- 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: 100.0%

2,4-di-tert-Butylphenol (96-76-4) → 4,6-di-tert-butyl-2-iodophenol (89209-02-9)

Guidance literature:

With bis(2,4,6-trimethylpyridine)iodine(I) hexafluorophosphate; In dichloromethane; for 0.0833333h; Ambient temperature;

DOI:10.1016/0040-4039(95)01758-A

Reference yield: 90.0%

2,4-di-tert-Butylphenol (96-76-4) → 4,6-di-tert-butyl-2-iodophenol (89209-02-9) + 2,4,7,9-Tetra-tert-butyloxepino<2,3-b>benzofuran (65355-46-6)

Guidance literature:

With potassium hydroxide; iodine; In methanol; for 1h;

DOI:10.1021/jo00191a002

Reference yield:

→ 4,6-di-tert-butyl-2-iodophenol (89209-02-9)

Guidance literature:

2,4-Di-tert-butyl-phenol, I2/KI/ethanol. Ethylamin-Lsg.;

upstream raw materials:

2,4-di-tert-Butylphenol

Downstream raw materials:

2,4-di-tert-butyl-6-(trimethylsilylethynyl)phenol

3,5-di-tert-butyl-2-(3-fluoropropoxy)iodobenzene

3,5-di-tert-butyl-2-(2,2-difluoroethoxy)iodobenzene

2,4-di-tert-butyl-6-(3-hydroxy-3-methylbut-1-ynyl)phenol

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