1,3,5-Tris(2-hydroxyethoxy)benzene

Base Information

• Chemical Name: 1,3,5-Tris(2-hydroxyethoxy)benzene
• CAS No.: 46929-51-5
• Molecular Formula: C12H18O6
• Molecular Weight: 258.271
• DSSTox Substance ID: DTXSID50462371
• Nikkaji Number: J2.896.537K
• Wikidata: Q82286900
• Mol file: 46929-51-5.mol

Synonyms:1,3,5-tris(2-hydroxyethoxy)benzene;46929-51-5;SCHEMBL5378158;DTXSID50462371;VPGAYKAKEQBZQJ-UHFFFAOYSA-N;1,3,5-tris-(2-hydroxyethoxy) benzene

Chemical Property of 1,3,5-Tris(2-hydroxyethoxy)benzene

Chemical Property:

• XLogP3: -0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 258.11033829
• Heavy Atom Count: 18
• Complexity: 156

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1OCCO)OCCO)OCCO

Technology Process of 1,3,5-Tris(2-hydroxyethoxy)benzene

There total 4 articles about 1,3,5-Tris(2-hydroxyethoxy)benzene 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: 78.0%

2,2',2''-[benzene-1,3,5-triyltris(oxyethane-2,1-diyloxy)]tris(tetrahydro-2H-pyran) → 2,2',2''-(benzene-1,3,5-triyltris(oxy))tris(ethan-1-ol) (46929-51-5)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; at 20 ℃; for 48h;

DOI:10.3998/ark.5550190.p008.981

Reference yield: 66.0%

[1,3]-dioxolan-2-one (96-49-1) + 3,5-dihydroxyphenol (108-73-6) → 2,2',2''-(benzene-1,3,5-triyltris(oxy))tris(ethan-1-ol) (46929-51-5)

Guidance literature:

With tetrabutyl ammonium fluoride; In N,N-dimethyl-formamide; at 170 ℃; for 6h; Inert atmosphere; Schlenk technique;

DOI:10.1002/adsc.201900287

Reference yield: 37.0%

→ 2,2',2''-(benzene-1,3,5-triyltris(oxy))tris(ethan-1-ol) (46929-51-5)

Guidance literature:

upstream raw materials:

[1,3]-dioxolan-2-one

3,5-dihydroxyphenol

Downstream raw materials:

1,3,5-tris-(2-methylmalonyl)ethoxybenzene

1,3,5-tris((2'-(2''-bromoethyl)malonyl)ethoxy)benzene

C₄₈H₅₇N₃O₁₂S₃

C₄₅H₅₁N₃O₁₂S₃