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

Base Information

• Chemical Name: 1,3,5-Benzenetricarboxaldehyde, 2,4,6-tribromo-
• CAS No.: 191529-09-6
• Molecular Formula: C9H3Br3O3
• Molecular Weight: 398.833
• DSSTox Substance ID: DTXSID20463936
• Nikkaji Number: J847.223H
• Wikidata: Q82289042
• Mol file: 191529-09-6.mol

Synonyms:2,4,6-tribromobenzene-1,3,5-tricarbaldehyde;191529-09-6;1,3,5-Benzenetricarboxaldehyde, 2,4,6-tribromo-;2,4,6-Tribromo-1,3,5-benzenetricarbaldehyde;YSZCR005;SCHEMBL18272369;DTXSID20463936;2,4,6-tribromobenzene-1,3,5-tricarboxaldehyde

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

Chemical Property:

• Melting Point: 250 °C (decomp)(Solv: methanol (67-56-1))
• Boiling Point: 430.9±45.0 °C(Predicted)
• PSA: 51.21000
• Density: 2.305±0.06 g/cm3(Predicted)
• LogP: 3.41160
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 397.76118
• Heavy Atom Count: 15
• Complexity: 211

Purity/Quality:

99.0% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)C1=C(C(=C(C(=C1Br)C=O)Br)C=O)Br

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

There total 7 articles about 1,3,5-Benzenetricarboxaldehyde, 2,4,6-tribromo- 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: 86.0%

1,3,5-tribromo-2,4,6-tris(hydroxymethyl)benzene (191529-08-5) → 2,4,6-tribromo-1,3,5-benzenetricarboxaldehyde (191529-09-6)

Guidance literature:

With 4 A molecular sieve; Celite; pyridinium chlorochromate; In dichloromethane; at 25 ℃; for 48h;

DOI:10.1021/ol027482z

Reference yield: 72.0%

1,3,5-tribromo-2,4,6-tris(dichloromethyl)benzene (1345691-00-0) → 2,4,6-tribromo-1,3,5-benzenetricarboxaldehyde (191529-09-6)

Guidance literature:

With ferrous(II) sulfate heptahydrate; sulfuric acid; water; at 130 ℃; for 4h;

DOI:10.1515/znb-2011-0911

Reference yield:

2,4,6-tribromomesitylene (608-72-0) → 2,4,6-tribromo-1,3,5-benzenetricarboxaldehyde (191529-09-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: bromine / CH₂Cl₂ / 10 h / Heating

1.2: dimethylformamide / 20 h / 80 °C

1.3: 96.8 percent / aq. KOH / H₂O / 22 h / 90 °C

2.1: 86 percent / PCC; celite; molecular sieves 4 Angstroem / CH₂Cl₂ / 48 h / 25 °C

With 4 A molecular sieve; Celite; bromine; pyridinium chlorochromate; In dichloromethane;

DOI:10.1021/ol027482z

upstream raw materials:

1,3,5-tribromo-2,4,6-tris(hydroxymethyl)benzene

2,4,6-tribromomesitylene

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

(2,4,6-tribromobenzene-1,3,5-triyl)tris(methylene) triacetate

Downstream raw materials:

2,4,6-Tris-triethylsilanylethynyl-benzene-1,3,5-tricarbaldehyde

2,4,6-tris(phenylethynyl)benzene-1,3,5-tricarbaldehyde

2,4,6-tris[(trimethylsilyl)ethynyl]-1,3,5-benzenetricarbaldehyde

1,3,5-tris(2,2-dibromo-1-ethenyl)-2,4,6-tris[(trimethylsilyl)ethynyl]benzene