5-Bromosalicylaldehyde

Base Information

• Chemical Name: 5-Bromosalicylaldehyde
• CAS No.: 1761-61-1
• Molecular Formula: C7H5BrO2
• Molecular Weight: 201.019
• Hs Code.: 29130000
• European Community (EC) Number: 217-167-2
• NSC Number: 9258,7310
• UNII: 0Z65A0A8CE
• DSSTox Substance ID: DTXSID8022165
• Nikkaji Number: J150.849K
• Wikidata: Q27251066
• ChEMBL ID: CHEMBL207194
• Mol file: 1761-61-1.mol

Synonyms:5-bromosalicylaldehyde

Chemical Property of 5-Bromosalicylaldehyde

Chemical Property:

• Appearance/Colour: slightly yellow to yellow-beige powder
• Vapor Pressure: 0.0164mmHg at 25°C
• Melting Point: 102-106 °C(lit.)
• Refractive Index: 1.657
• Boiling Point: 247.3 °C at 760 mmHg
• PKA: 7.60±0.18(Predicted)
• Flash Point: 103.4 °C
• PSA: 37.30000
• Density: 1.737 g/cm³
• LogP: 1.96720
• Storage Temp.: Room temperature.
• Sensitive.: Air Sensitive
• Solubility.: 0.1g/l (experimental)
• Water Solubility.: insoluble
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 199.94729
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

5-Bromosalicylaldehyde ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)C=O)O
• General Description: 5-Bromosalicylaldehyde is a brominated derivative of salicylaldehyde, featuring a bromine atom at the 5-position of the aromatic ring, which influences its reactivity and coordination properties in metal complexes. Its electron-withdrawing nature affects the geometry and supramolecular assembly of resulting complexes, as demonstrated in studies involving Schiff base ligands and copper coordination compounds. 5-Bromosalicylaldehyde serves as a key intermediate in synthesizing ligands for coordination chemistry, particularly in forming structures with potential biological or catalytic applications.

Technology Process of 5-Bromosalicylaldehyde

There total 46 articles about 5-Bromosalicylaldehyde 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: 100.0%

salicylaldehyde (90-02-8) → 5-bromosalicyclaldehyde (1761-61-1)

Guidance literature:

With sulfuric acid; C₁₈H₁₆Br₄N₂O₃V; dihydrogen peroxide; potassium bromide; In methanol; water; at 20 ℃; for 2.16667h; Catalytic behavior;

DOI:10.1016/j.poly.2013.10.026

Reference yield: 99.0%

5-bromo-2-hydroxybenzyl alcohol (2316-64-5) → 5-bromosalicyclaldehyde (1761-61-1)

Guidance literature:

In neat (no solvent); at 20 ℃; for 0.05h; Microwave irradiation;

DOI:10.33224/rrch.2020.65.3.08

Reference yield: 98.0%

2-(5-bromo-2-trityloxyphenyl)-1,3-dioxolane (206860-51-7) → 5-bromosalicyclaldehyde (1761-61-1)

Guidance literature:

With bismuth(lll) trifluoromethanesulfonate; In tetrahydrofuran; water; for 12h; Heating;

DOI:10.1021/jo016180s

upstream raw materials:

4-bromo-phenol

chloroform

6H,12H-6,12-epoxydibenzo[b,f][1,5]dioxocine

5-bromosalicyclic acid

Downstream raw materials:

(E)-3-(5-bromo-2-hydroxyphenyl)acrylic acid

(5-bromo-2-hydroxy-benzylidene)-malonic acid

2-[(1E)-2-aza-2-(2-pyridyl)ethenyl]-4-bromobenzen-1-ol

2-(5-bromo-2-hydroxy-trans-styryl)-quinolin-8-ol

Refernces

Synthesis and crystal structures of two novel complexes with N-[2-(5-bromo-2-hydroxybenzylideneamino)ethyl]- 4-methylbenzenesulfonamide as ligand

10.1007/s10870-010-9825-4

This research presents the synthesis and crystal structures of two novel complexes, [Cu(HL)2] (1) and [CuL(H2O)] (2), utilizing the sulfonamide Schiff base ligand H2L, N-[2-(5-bromo-2-hydroxybenzylideneamino)ethyl]-4-methylbenzenesulfonamide. The purpose of the study was to contribute to the field of coordination chemistry and explore the potential applications in biological and catalytic domains. The researchers synthesized the complexes and characterized them using X-ray single-crystal diffraction, elemental analysis, FT-IR, and UV-Vis measurements. They found that both complexes formed 1-D supramolecular architectures through π-π stacking interactions and crystallized in monoclinic systems with different space groups. The chemicals used in the synthesis process included ethylenediamine, Cu(NO3)2·3H2O, 5-bromosalicylaldehyde, N-tosyl-ethylenediamine, and Cu(ClO4)2·6H2O. The conclusions highlighted the impact of the electron-withdrawing bromine atom in the ligand on the coordination geometry and the resulting supramolecular structures, which differed from similar complexes without the bromine substitution.

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