Benzene-1,3,5-tricarboxamide

Base Information

• Chemical Name: Benzene-1,3,5-tricarboxamide
• CAS No.: 60541-32-4
• Molecular Formula: C9H9N3O3
• Molecular Weight: 207.189
• DSSTox Substance ID: DTXSID90332281
• Nikkaji Number: J2.504.712E
• Wikidata: Q82096790
• Mol file: 60541-32-4.mol

Synonyms:benzene-1,3,5-tricarboxamide

Chemical Property of Benzene-1,3,5-tricarboxamide

Chemical Property:

• PSA: 132.24000
• LogP: 1.63590
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.06439116
• Heavy Atom Count: 15
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(=O)N)C(=O)N)C(=O)N
• Use Description: Benzene-1,3,5-tricarboxamide, a specific chemical compound, serves varied roles across different fields. In the field of materials science, it plays a significant role as a building block for the synthesis of polymers with specific properties, contributing to the creation of materials with enhanced strength, durability, or other desirable characteristics. In the realm of organic electronics, benzene-1,3,5-tricarboxaMide finds utility as an organic semiconductor, enabling the development of electronic devices such as transistors and solar cells. Moreover, in the pharmaceutical and biotechnology sectors, it might be explored for its potential interactions with biomolecules or its role in drug delivery systems due to its unique structural features. Its applications in materials science, organic electronics, and pharmaceutical research underscore its importance in enhancing material properties, advancing technology, and supporting medical advancements within these distinct domains.

Technology Process of Benzene-1,3,5-tricarboxamide

There total 4 articles about Benzene-1,3,5-tricarboxamide 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: 88.0%

1,3,5-benzene tris(carbonyl chloride) (4422-95-1) → benzene-1,3,5-tricarboxamide (60541-32-4)

Guidance literature:

With ammonia; In water; for 2h; Ambient temperature;

DOI:10.1039/dt9960001857

Reference yield:

benzene-1,3,5-tricarboxylic acid (554-95-0) → benzene-1,3,5-tricarboxamide (60541-32-4)

Guidance literature:

With SULFAMIDE;

Reference yield:

→ benzene-1,3,5-tricarboxamide (60541-32-4)

Guidance literature:

With ammonium hydroxide;

DOI:10.1039/jr9360001108

upstream raw materials:

benzene-1,3,5-tricarboxylic acid

1,3,5-benzene tris(carbonyl chloride)

Downstream raw materials:

1,3,5-tricyanobenzene

1,3,5-tris(aminomethyl)benzene

2,2',2,3,3',3-hexamethoxy-4,4',4-<1,3,5-benzenetriyltris(methyleniminocarbonyl)>tris benzoylchloride

trisodium 2,2',2,3,3',3-hexamethoxy-4,4',4-<1,3,5-benzenetriyltris(methyleniminocarbonyl)>tris benzoate

Refernces

Asymmetrically substituted benzene-1,3,5-tricarboxamides: Self-assembly and odd-even effects in the solid state and in dilute solution

10.1002/chem.200802196

The research focuses on the synthesis, characterization, and self-assembly behavior of asymmetrically substituted benzene-1,3,5-tricarboxamides (aBTAs). These compounds form well-defined aggregates in solid state and in dilute solutions, and exhibit liquid-crystalline properties. The study systematically investigates the influence of the position and configuration of a chiral methyl group in the aliphatic side chains on the aggregation behavior and liquid-crystalline properties of aBTAs, comparing them to symmetrical benzene-1,3,5-tricarboxamides (sBTAs). The synthesis involved coupling chiral amines to 3,5-bis-n-octylaminocarbonylbenzoic acid, and the characterization of the compounds in the solid state was conducted using techniques such as infrared (IR) spectroscopy, differential scanning calorimetry (DSC), polarized optical microscopy (POM), and X-ray diffraction (XRD). The self-assembly behavior in dilute alkane solutions was studied using circular dichroism (CD) spectroscopy, which also helped to assess the presence of an odd–even effect. The analyses provided insights into the intermolecular hydrogen bonding, columnar hexagonal organization, and the stability of aggregates, illustrating the impact of minor structural changes on the properties and self-assembly of these compounds.

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