1,3,5-Tris(4-carboxyphenyl)benzene

Base Information

• Chemical Name: 1,3,5-Tris(4-carboxyphenyl)benzene
• CAS No.: 50446-44-1
• Molecular Formula: C27H18O6
• Molecular Weight: 438.436
• Hs Code.: 29173990
• European Community (EC) Number: 625-592-3
• DSSTox Substance ID: DTXSID30443603
• Nikkaji Number: J636.389J
• Wikidata: Q72515005
• Mol file: 50446-44-1.mol

Synonyms:50446-44-1;1,3,5-Tris(4-carboxyphenyl)benzene;1,3,5-Tri(4-carboxyphenyl)benzene;5'-(4-Carboxyphenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid;4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic Acid;[1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid, 5'-(4-carboxyphenyl)-;YSWG003;SCHEMBL864660;DTXSID30443603;MFCD10000888;5'-(4-carboxyphenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarboxylicacid;AKOS015836326;CS-W004612;DS-7520;T2647;C75361;1,3,5-Tris(4-carboxyphenyl)benzene, >=98%, <=20 wt. % solvent;5'-(4-Carboxyphenyl)[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid

Chemical Property of 1,3,5-Tris(4-carboxyphenyl)benzene

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 322-327 °C
• Refractive Index: 1.671
• Boiling Point: 710.973°C at 760 mmHg
• PKA: 3.46±0.10(Predicted)
• Flash Point: 397.736°C
• PSA: 111.90000
• Density: 1.358g/cm³
• LogP: 5.78220
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Soluble in tetrahydrofuran.
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 438.11033829
• Heavy Atom Count: 33
• Complexity: 588

Purity/Quality:

98%,99%, ^*data from raw suppliers

5''-(4-Carboxyphenyl)-[1,1'':3'',1''''-terphenyl]-4,4''''-dicarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn,N,Xi
• Hazard Codes: F,Xn,N,Xi
• Statements: 10-48/20-50/53-63-65-67-36/38
• Safety Statements: 36/37-60-61-62-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O)C(=O)O
• Uses: 1,3,5-Tri(4-carboxyphenyl)benzene is used as a building block for metal organic frameworks, which is a 3D-microporous material and finds applications in gas adsorption and separation technologies.

Technology Process of 1,3,5-Tris(4-carboxyphenyl)benzene

There total 22 articles about 1,3,5-Tris(4-carboxyphenyl)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: 97.0%

1,3,5-tris(4-methyl-phenyl)-benzene (50446-43-0) → 1,3,5,-tris(4-carboxyphenyl)benzene (50446-44-1)

Guidance literature:

With pyridine; ammonium cerium (IV) nitrate; dihydrogen peroxide; sodium carbonate; cobalt(II) nitrate; at 110 ℃; for 6h; under 15001.5 Torr; Reagent/catalyst; Temperature; Pressure; Green chemistry;

Reference yield: 92.0%

dimethyl 5'-(4-(methoxycarbonyl)phenyl)-[1,1:3,1''-terphenyl]-4,4''-dicarboxylate (117100-41-1) → 1,3,5,-tris(4-carboxyphenyl)benzene (50446-44-1)

Guidance literature:

With methanol; sodium hydroxide; In tetrahydrofuran;

Reference yield: 75.0%

1-[4-[3,5-bis(4-acetylphenyl)phenyl]phenyl]ethanone → 1,3,5,-tris(4-carboxyphenyl)benzene (50446-44-1)

Guidance literature:

With bromine; sodium hydroxide; In 1,4-dioxane; water; at 60 ℃; for 2h;

DOI:10.1039/c5cc04219d

upstream raw materials:

1,3,5-tris(4-methyl-phenyl)-benzene

dimethyl 5'-(4-(methoxycarbonyl)phenyl)-[1,1:3,1''-terphenyl]-4,4''-dicarboxylate

carbon dioxide

1,3,5-tris(4-bromophenyl)benzene

Refernces

• 1、 Zhang, Zhenxin,Zhao, Wei,Ma, Baochun,Ding, Yong. "The epoxidation of olefins catalyzed by a new heterogeneous polyoxometalate-based catalyst with hydrogen peroxide". . p. 318 - 322. Retrieved 2010.
• 2、 Sukul, Pradip K.,Malik, Sudip. "Removal of toxic dyes from aqueous medium using adenine based bicomponent hydrogel". . p. 1902 - 1915. Retrieved 2013.
• 3、 Carloni, Laure-Elie,Mohnani, Stefan,Bonifazi, Davide. "Synthesis of 3,5-Disubstituted Isoxazoles through a 1,3-Dipolar Cycloaddition Reaction between Alkynes and Nitrile Oxides Generated from O-Silylated Hydroxamic Acids". supporting information. p. 7322 - 7334. Retrieved 2019/11/05.
• 4、 -. "Method for preparing polyphenyl polyacid monomers". Paragraph 0071-0093. . Retrieved 2018/03/24.