5-Chloro-2-[(4-chlorobenzyl)oxy]benzaldehyde

Base Information

• Chemical Name: 5-Chloro-2-[(4-chlorobenzyl)oxy]benzaldehyde
• CAS No.: 590360-27-3
• Molecular Formula: C14H10Cl2O2
• Molecular Weight: 281.13
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID60392655
• Wikidata: Q82191019
• Mol file: 590360-27-3.mol

Synonyms:5-chloro-2-[(4-chlorobenzyl)oxy]benzaldehyde;590360-27-3;5-chloro-2-[(4-chlorophenyl)methoxy]benzaldehyde;5-Chloro-2-((4-chlorobenzyl)oxy)benzaldehyde;DTXSID60392655;BBL014006;MFCD03422423;STK002461;AKOS000287440;VS-04104;CS-0317513

Chemical Property of 5-Chloro-2-[(4-chlorobenzyl)oxy]benzaldehyde

Chemical Property:

• Vapor Pressure: 5.31E-07mmHg at 25°C
• Refractive Index: 1.623
• Boiling Point: 412.1°C at 760 mmHg
• Flash Point: 169.2°C
• PSA: 26.30000
• Density: 1.34g/cm³
• LogP: 4.38490
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 280.0057849
• Heavy Atom Count: 18
• Complexity: 265

Purity/Quality:

97% ^*data from raw suppliers

5-Chloro-2-[(4-chlorobenzyl)oxy]benzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1COC2=C(C=C(C=C2)Cl)C=O)Cl

Technology Process of 5-Chloro-2-[(4-chlorobenzyl)oxy]benzaldehyde

There total 1 articles about 5-Chloro-2-[(4-chlorobenzyl)oxy]benzaldehyde 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: 98.7%

1-Chloro-4-(chloromethyl)benzene (104-83-6) + 5-chlorosalicyclaldehyde (635-93-8) → 5-chloro-2-((4-chlorobenzyl)oxy)benzaldehyde (590360-27-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.bmc.2016.04.022

Reference yield:

5-chloro-2-((4-chlorobenzyl)oxy)benzaldehyde (590360-27-3) → 5-chloro-2-((4-chlorobenzyl)oxy)-N-(4-hydroxyphenyl)benzamide

Guidance literature:

Multi-step reaction with 2 steps

1.1: 2-methyl-but-2-ene; sodium chlorite; sodium dihydrogenphosphate dihydrate / tert-butyl alcohol / 0 - 20 °C / Inert atmosphere

2.1: 1-hydroxy-7-aza-benzotriazole; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 0.17 h / 0 - 20 °C / Inert atmosphere

2.2: Inert atmosphere

With sodium chlorite; 1-hydroxy-7-aza-benzotriazole; sodium dihydrogenphosphate dihydrate; 2-methyl-but-2-ene; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In tetrahydrofuran; tert-butyl alcohol;

DOI:10.1016/j.bmc.2016.04.022

Reference yield:

5-chloro-2-((4-chlorobenzyl)oxy)benzaldehyde (590360-27-3) + aminoguanidine bicarbonate (2582-30-1) → C15H14Cl2N4O

Guidance literature:

In ethanol; Heating;

DOI:10.1016/j.bmcl.2006.09.052

upstream raw materials:

1-Chloro-4-(chloromethyl)benzene

5-chlorosalicyclaldehyde

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