1,3,5-Benzenetricarboxaldehyde

Base Information

• Chemical Name: 1,3,5-Benzenetricarboxaldehyde
• CAS No.: 3163-76-6
• Molecular Formula: C9H6 O3
• Molecular Weight: 162.145
• Hs Code.: 29122990
• European Community (EC) Number: 694-839-5
• DSSTox Substance ID: DTXSID40372697
• Nikkaji Number: J80.653F
• Wikidata: Q82160547
• Mol file: 3163-76-6.mol

Synonyms:Trimesaldehyde(6CI); 1,3,5-Triformylbenzene

Chemical Property of 1,3,5-Benzenetricarboxaldehyde

Chemical Property:

• Melting Point: 156-161°C
• Boiling Point: 329.3±37.0 °C(Predicted)
• PSA: 51.21000
• Density: 1.303±0.06 g/cm3(Predicted)
• LogP: 1.12410
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 162.031694049
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

≥95% ^*data from raw suppliers

Benzene-1,3,5-tricarbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C=O)C=O)C=O
• Uses: Benzene-1,3,5-tricarboxaldehyde is extensively used in the synthesis of a wide range of porous organic cages and covalent organic frameworks.

Technology Process of 1,3,5-Benzenetricarboxaldehyde

There total 30 articles about 1,3,5-Benzenetricarboxaldehyde 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: 96.0%

triformylmethane (18655-47-5) → benzene-1,3,5-trialdehyde (3163-76-6)

Guidance literature:

In water; at 20 ℃; for 168h;

Reference yield: 90.0%

1,3,5-trimethyl-benzene (108-67-8) → benzene-1,3,5-trialdehyde (3163-76-6)

Guidance literature:

With 1,4-dichloro-1,4-diazoniabicyclo[2,2,2]octane bis-chloride; water; at 40 ℃; for 0.333333h; pH=7;

DOI:10.3184/030823409X12561451265580

Reference yield: 80.8%

1,3,5-Tris(bromomethyl)benzene (18226-42-1) → benzene-1,3,5-trialdehyde (3163-76-6)

Guidance literature:

1,3,5-Tris(bromomethyl)benzene; With 2-nitropropane; sodium methylate; In methanol; ethyl acetate; at 30 ℃; for 6h;

With water; In methanol; ethyl acetate;

DOI:10.1071/CH14400

upstream raw materials:

1,3,5-Tris(bromomethyl)benzene

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

Propargylic aldehyde

α,α,α',α',α'',α''-hexabromomesitylene

Downstream raw materials:

1,3,5-tris-(2-nitro-vinyl)-benzene

(2E,2'E,2''E)-3,3',3''-(benzene-1,3,5-triyl)triacrylic acid

benzene-1,3,5-tricarbaldehyde tris-(4-methoxy-phenylimine)

1,3-Bis-((Z)-2-nitro-propenyl)-5-((E)-2-nitro-propenyl)-benzene

Refernces

• 1、 Meng, Zhiying,Zhang, Ying,Dong, Mengqing,Zhang, Yue,Cui, Fengmin,Loh, Teck-Peng,Jin, Yinghua,Zhang, Wei,Yang, Haishen,Du, Ya. "Readily useable bulk phenoxazine-based covalent organic framework cathode materials with superior kinetics and high redox potentials". . p. 10661 - 10665. Retrieved 2021/05/14.
• 2、 -. "Method for preparing benzenetricarboxaldehyde from Willeberg amide". Paragraph 0032; 0042-0044; 0045-0046. . Retrieved 2021/04/14.