| Identification | Back Directory | [Name]
1,3,5-Tri(4-carboxyphenyl)benzene | [CAS]
50446-44-1 | [Synonyms]
H3BTB
Benzenetribenzoic acid
Benzene-1,3,5-tribenzoic acid
1,3,5-Tri(4-carboxyphenyl)benzene
1,3,5-Tris(4-carboxyphenyl)benzene
Benzene-1,3,5-tris(4-benzoic acid)
1,4-Di-(4-carboxyphenyl)-naphthalene
Benzene-1,3,5-triyltris(4-benzoic acid)
4',4'',4'''-Benzene-1,3,5-tribenzoic acid
4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid
1,3,5-Tris(4-carboxyphenyl)benzene, min. 98% BTB
4,4μ,4μμ,-Benzene-1,3,5-triyl-tris(benzoic acid)
1,3,5-Tris(4-carboxyphenyl)benzene, 98%, for synthesis
1,3,5-Tris(4-carboxyphenyl)benzene >=98%, <=20 wt. % solvent
5'-(4-carboxyphenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid
[1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid, 5'-(4-carboxyphenyl)- | [Molecular Formula]
C27H18O6 | [MDL Number]
MFCD10000888 | [MOL File]
50446-44-1.mol | [Molecular Weight]
438.44 |
| Chemical Properties | Back Directory | [Melting point ]
322-327 °C | [Boiling point ]
711.0±60.0 °C(Predicted) | [density ]
1.357±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
Soluble in tetrahydrofuran. | [form ]
solid | [pka]
3.46±0.10(Predicted) | [color ]
white to yellow | [InChI]
InChI=1S/C27H18O6/c28-25(29)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(30)31)15-24(14-22)18-5-11-21(12-6-18)27(32)33/h1-15H,(H,28,29)(H,30,31)(H,32,33) | [InChIKey]
SATWKVZGMWCXOJ-UHFFFAOYSA-N | [SMILES]
C1(C2=CC(C3=CC=C(C(O)=O)C=C3)=CC(C3=CC=C(C(O)=O)C=C3)=C2)=CC=C(C(O)=O)C=C1 |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [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. | [General Description]
We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product has been enhanced for energy efficiency. Find details here. | [Synthesis]
3.485 g (0.01 mol) of 1,3,5-tris(4-methylphenyl)benzene was added to 0.0029 g (1 mol%) of cobalt nitrate, 0.005482 g (1 eq.) of ammonium ceric nitrate, 0.0106 g (0.1 eq.) of sodium carbonate as an additive, 0.04 mol of 30% hydrogen peroxide, 5 mL of dimethyl succinate as a solvent, and 7.971 mg (0.1 equiv) of indole ligand in a dry clean pressure resistant tube. The reaction mixture was heated to 110 °C and reacted at 2.0 MPa (gauge pressure) for 6 hours. Upon completion of the reaction, the heating was stopped and the reaction system was extracted three times with ethyl acetate. The organic phases were combined and concentrated under reduced pressure to remove the solvent, and the resulting crude product was purified by column chromatography to give 4.2469 g of 1,3,5-tris(4-carboxyphenyl)benzene in 97% yield. | [References]
[1] Patent: CN108218685, 2018, A. Location in patent: Paragraph 0028; 0030; 0031; 0032
[2] Patent: CN107759460, 2018, A. Location in patent: Paragraph 0071-0093
[3] Patent: CN108484380, 2018, A. Location in patent: Paragraph 0031; 0033; 0035; 0037; 0038; 0039
[4] Journal fuer Praktische Chemie (Leipzig), 1890, vol. <2> 41, p. 414
[5] Journal fuer Praktische Chemie (Leipzig), 1893, vol. <2> 47, p. 420 |
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