1,3,5-Benzenetricarboxaldehyde, 2,4,6-trimethyl-

Base Information

• Chemical Name: 1,3,5-Benzenetricarboxaldehyde, 2,4,6-trimethyl-
• CAS No.: 119198-88-8
• Molecular Formula: C12H12O3
• Molecular Weight: 204.225
• DSSTox Substance ID: DTXSID70471329
• Nikkaji Number: J1.633.493F
• Wikidata: Q82299818
• Mol file: 119198-88-8.mol

Synonyms:2,4,6-trimethylbenzene-1,3,5-tricarbaldehyde;119198-88-8;1,3,5-Benzenetricarboxaldehyde, 2,4,6-trimethyl-;MFCD00981925;YSZC443;SCHEMBL12080026;DTXSID70471329;AC1491;AKOS022647864;CS-12825;SY225737;2,4,6-trimethylbenzene-1,3,5-triformyl;CS-0170519;A907715

Chemical Property of 1,3,5-Benzenetricarboxaldehyde, 2,4,6-trimethyl-

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 204.078644241
• Heavy Atom Count: 15
• Complexity: 201

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1C=O)C)C=O)C)C=O

Technology Process of 1,3,5-Benzenetricarboxaldehyde, 2,4,6-trimethyl-

There total 3 articles about 1,3,5-Benzenetricarboxaldehyde, 2,4,6-trimethyl- 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: 67.0%

1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene (21988-87-4) → 2,4,6-trimethylbenzene-1,3,5-tricarbaldehyde (119198-88-8)

Guidance literature:

With 2-nitropropane; sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.1016/j.tet.2007.08.035

Reference yield:

1,3,5-Tris(hydroxymethyl)-2,4,6-trimethylbenzene (69125-03-7) → 2,4,6-trimethylbenzene-1,3,5-tricarbaldehyde (119198-88-8)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 48h; Molecular sieve;

DOI:10.1016/j.ejmech.2020.112042

Reference yield:

1,3,5-trimethyl-benzene (108-67-8) → 2,4,6-trimethylbenzene-1,3,5-tricarbaldehyde (119198-88-8)

Guidance literature:

Multi-step reaction with 4 steps

1: zinc dibromide; acetic acid; hydrogen bromide / 95 °C

2: N,N-dimethyl-formamide / 19 h / 70 °C

3: potassium hydroxide / water / 24 h / Reflux

4: pyridinium chlorochromate / dichloromethane / 48 h / 20 °C / Molecular sieve

With hydrogen bromide; acetic acid; pyridinium chlorochromate; potassium hydroxide; zinc dibromide; In dichloromethane; water; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2020.112042

upstream raw materials:

1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene

1,3,5-trimethyl-benzene

1,3,5-Tris(hydroxymethyl)-2,4,6-trimethylbenzene

Downstream raw materials:

C₆(CH₃)3(C₅H₂N(C₅H₄N)2)3

1,3,5-tris(2',2'-ethenyldicarbonnitrile)benzene

1,3,5-tris(2',2'-ethenyldicarbonnitrile)-2,4,6-trimethylbenzene

3-[3,5-Bis-(2,2-bis-ethoxycarbonyl-vinyl)-2,4,6-tris-bromomethyl-phenyl]-2-ethoxycarbonyl-acrylic acid ethyl ester

Refernces

Shape-persistent, ruthenium(ii)- and iron(ii)-bisterpyridine metallodendrimers: Synthesis, traveling-wave ion-mobility mass spectrometry, and photophysical properties

10.1039/c2nj20799k

The study focuses on the synthesis, characterization, and investigation of the photophysical and electrochemical properties of shape-persistent metallodendrimers based on htpy-RuII-tpyi or htpy-FeII-tpyi connectivity. These metallodendrimers were developed using a self-assembly strategy and were fully characterized by techniques such as 1H and 13C NMR, traveling wave ion mobility mass spectrometry (TWIM MS), single crystal X-ray, UV-vis absorption, photoluminescence, and cyclic voltammetry. The researchers observed a significant increase in drift times with increasing generation of these complexes, correlating with the change in molecular size. Additionally, the photophysical properties, such as molar extinction coefficients, and electrochemical stability of the complexes varied noticeably with size and metal ion center, suggesting potential applications in catalysis, sensing, and light-harvesting devices.

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