Benzene, 1,3,5-tris[(5-bromopentyl)oxy]-

Base Information

• Chemical Name: Benzene, 1,3,5-tris[(5-bromopentyl)oxy]-
• CAS No.: 461055-41-4
• Molecular Formula: C21H33Br3O3
• Molecular Weight: 573.203
• DSSTox Substance ID: DTXSID40449459
• Nikkaji Number: J2.334.127A
• Wikidata: Q82268930
• Mol file: 461055-41-4.mol

Synonyms:Benzene, 1,3,5-tris[(5-bromopentyl)oxy]-;461055-41-4;SCHEMBL12691913;DTXSID40449459;1,3,5-Tris(5-bromopentyloxy)benzene

Chemical Property of Benzene, 1,3,5-tris[(5-bromopentyl)oxy]-

Chemical Property:

• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 571.99593
• Heavy Atom Count: 27
• Complexity: 262

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1OCCCCCBr)OCCCCCBr)OCCCCCBr

Technology Process of Benzene, 1,3,5-tris[(5-bromopentyl)oxy]-

There total 2 articles about Benzene, 1,3,5-tris[(5-bromopentyl)oxy]- 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: 65.0%

1,5-dibromo-pentane (111-24-0) + 3,5-dihydroxyphenol (108-73-6) → 1,3,5-tris(5-bromopentyloxy)benzene (461055-41-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 48h;

DOI:10.1021/jo025844a

Reference yield: 50.0%

1,5-dibromo-pentane (111-24-0) + 3,5-dihydroxyphenol (108-73-6) → 1,5-bis(3,5-bis(5-bromopentyloxy)phenoxy)pentane (1541176-21-9) + 1,3,5-tris(5-bromopentyloxy)benzene (461055-41-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 48h;

DOI:10.1021/jp410589h

Reference yield: 95.0%

1,3-dibenzylphloroglucinol (63604-98-8) + 1,3,5-tris(5-bromopentyloxy)benzene (461055-41-4) → C81H84O12 (461055-43-6)

Guidance literature:

With potassium carbonate; 18-crown-6 ether; In acetonitrile; for 15h; Heating;

DOI:10.1021/jo025844a

upstream raw materials:

1,5-dibromo-pentane

3,5-dihydroxyphenol

Downstream raw materials:

C₈₁H₈₄O₁₂

1,3,5-Tris-{5-[4-(diphenyl-phosphinoyl)-phenoxy]-pentyloxy}-benzene

1,3,5-Tris-[5-(4-bromo-phenoxy)-pentyloxy]-benzene

C₄₂H₄₈O₁₂