4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid

Base Information

• Chemical Name: 4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid
• CAS No.: 205383-17-1
• Molecular Formula: C33H18O6
• Molecular Weight: 510.502
• Mol file: 205383-17-1.mol

Synonyms:4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid;1,3,5-Triscarboxyphenylethynylbenzene

Chemical Property of 4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid

Chemical Property:

• Melting Point: 352℃
• Boiling Point: 827.1±65.0 °C(Predicted)
• PKA: 3.44±0.10(Predicted)
• PSA: 111.90000
• Density: 1.48±0.1 g/cm3(Predicted)
• LogP: 4.98060

Purity/Quality:

98%, ^*data from raw suppliers

1,3,5-Triscarboxyphenylethynylbenzene ≥95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Expanded benzene tricarboxylate MOF linker used to synthesize MOFs with ultra high porosity; example MOF-180 and MOF-210. These MOFs show promising applications in gas adsorption; seperations; storage and more.

Technology Process of 4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid

There total 2 articles about 4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid 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: 97.0%

C36H24O6 (1254970-48-3) → 4,4′,4′′-[benzene-1,3,5-triyltris(ethyne-2,1-diyl)]tribenzoic acid (205383-17-1)

Guidance literature:

C₃₆H₂₄O₆; With lithium hydroxide monohydrate; water; In tetrahydrofuran; at 20 ℃; for 16h;

With hydrogenchloride; In water; Cooling with ice;

Reference yield: 86.4%

1,3,5-tris[4-(ethoxycarbonyl)phenylethynyl]benzene → 4,4′,4′′-[benzene-1,3,5-triyltris(ethyne-2,1-diyl)]tribenzoic acid (205383-17-1)

Guidance literature:

With potassium hydroxide; water; In tetrahydrofuran; for 15h; Reflux; Inert atmosphere;

DOI:10.1039/b715550f

Reference yield: 100.0%

4,4′,4′′-[benzene-1,3,5-triyltris(ethyne-2,1-diyl)]tribenzoic acid (205383-17-1) → 1,3,5-tris(4-carboxyphenylethynyl)benzene tripotassium salt

Guidance literature:

With potassium methanolate; In methanol; Inert atmosphere;

DOI:10.1039/b715550f

upstream raw materials:

C₃₆H₂₄O₆

Refernces

• 1、 -. "OPEN METAL ORGANIC FRAMEWORKS WITH EXCEPTIONAL SURFACE AREA AND HIGH GAS STRORAGE CAPACITY". Page/Page column 33. . Retrieved 2011/04/24.