2,6-Bis(bromomethyl)-4-octylphenol

Base Information

• Chemical Name: 2,6-Bis(bromomethyl)-4-octylphenol
• CAS No.: 112921-43-4
• Molecular Formula: C16H24Br2O
• Molecular Weight: 392.174
• DSSTox Substance ID: DTXSID10550086
• Wikidata: Q82429301
• Mol file: 112921-43-4.mol

Synonyms:2,6-BIS(BROMOMETHYL)-4-OCTYLPHENOL;112921-43-4;DTXSID10550086;2,6-bisbromomethyl-4-octyl-phenol

Chemical Property of 2,6-Bis(bromomethyl)-4-octylphenol

Chemical Property:

• XLogP3: 6.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 392.01734
• Heavy Atom Count: 19
• Complexity: 209

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1=CC(=C(C(=C1)CBr)O)CBr

Technology Process of 2,6-Bis(bromomethyl)-4-octylphenol

There total 2 articles about 2,6-Bis(bromomethyl)-4-octylphenol 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: 71.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + p-Octylphenol (1806-26-4) → 2,6-Bis(bromomethyl)-p-octylphenol (112921-43-4)

Guidance literature:

With hydrogen bromide; acetic acid; for 0.333333h;

DOI:10.1007/BF01158978

Reference yield: 66.0%

p-Octylphenol (1806-26-4) → 2,6-Bis(bromomethyl)-p-octylphenol (112921-43-4)

Guidance literature:

With hydrogen bromide; In acetic acid; for 0.333333h;

DOI:10.1016/S0040-4020(01)96103-4

Reference yield: 14.0%

2,6-Bis(bromomethyl)-p-octylphenol (112921-43-4) + 2-(5-cyclohexyl-2-hydroxybenzyl)-4-t-butyl-6-(2-hydroxy-5-methylbenzyl)-phenol (108817-09-0) → 5-methyl-11-tert-butyl-17-cyclohexyl-23-octyl-25,26,27,28-tetrahydrocalix<4>arene (108817-16-9)

Guidance literature:

titanium tetrachloride; In 1,4-dioxane; for 50h; Heating;

DOI:10.1021/jo00391a005

upstream raw materials:

formaldehyd

p-Octylphenol

Downstream raw materials:

5-methyl-11-tert-butyl-17-cyclohexyl-23-octyl-25,26,27,28-tetrahydrocalix<4>arene