4-(2-Chlorophenoxy)benzaldehyde

Base Information

• Chemical Name: 4-(2-Chlorophenoxy)benzaldehyde
• CAS No.: 158771-11-0
• Molecular Formula: C13H9 Cl O2
• Molecular Weight: 232.666
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID30440778
• Nikkaji Number: J3.219.740J
• Wikidata: Q82257181
• ChEMBL ID: CHEMBL1933310
• Mol file: 158771-11-0.mol

Synonyms:4-(2-chlorophenoxy)benzaldehyde;158771-11-0;4-(2-Chloro-phenoxy)-benzaldehyde;Benzaldehyde, 4-(2-chlorophenoxy)-;SCHEMBL2317083;CHEMBL1933310;DTXSID30440778;4-(2-Chlorophenoxy)-benzaldehyde;4-(2-chlorophenoxy)benzaldehyde-;DXWBQHZLDLXBBO-UHFFFAOYSA-N;MFCD07365210;STK503516;AKOS000260121;LS-02106;BB 0218067;CS-0117027;FT-0679131

Chemical Property of 4-(2-Chlorophenoxy)benzaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.618
• Boiling Point: 332.421°C at 760 mmHg
• Flash Point: 137.311°C
• PSA: 26.30000
• Density: 1.267g/cm³
• LogP: 3.94480
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 232.0291072
• Heavy Atom Count: 16
• Complexity: 224

Purity/Quality:

98%min ^*data from raw suppliers

4-(2-Chlorophenoxy)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)OC2=CC=C(C=C2)C=O)Cl

Technology Process of 4-(2-Chlorophenoxy)benzaldehyde

There total 3 articles about 4-(2-Chlorophenoxy)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: 79.0%

2-monochlorophenol (95-57-8) + 4-fluorobenzaldehyde (459-57-4) → 4-(2-chlorophenoxy)benzaldehyde (158771-11-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl acetamide; at 150 ℃; for 12h;

DOI:10.1016/j.bmcl.2005.03.066

Reference yield: 62.0%

2-Chlorobenzeneboronic acid (3900-89-8) + 4-nitrobenzaldehdye (555-16-8) → 4-(2-chlorophenoxy)benzaldehyde (158771-11-0)

Guidance literature:

With C₂₉H₂₆FeN₃Pd⁽¹⁺⁾*Cl^(1-); oxygen; caesium carbonate; In 1,4-dioxane; dimethyl sulfoxide; at 100 ℃; for 24h;

DOI:10.1016/j.tet.2013.05.112

Reference yield:

C16H15ClO3 → 4-(2-chlorophenoxy)benzaldehyde (158771-11-0)

Guidance literature:

With water; acetic acid; at 65 ℃; for 1.5h;

DOI:10.1016/j.bmcl.2013.01.030

upstream raw materials:

2-monochlorophenol

4-fluorobenzaldehyde

2-Chlorobenzeneboronic acid

4-nitrobenzaldehdye

Downstream raw materials:

(Z)-2-Benzoylamino-3-[4-(2-chloro-phenoxy)-phenyl]-acrylic acid methyl ester

Ethyl 2-[4-(2-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylate

2-(2-(4-(2-chlorophenoxy)benzylidene)hydrazinyl)-6-methylbenzo[d]thiazole

2-(2-(4-(2-chlorophenoxy)benzylidene)hydrazinyl)-6-methoxybenzo[d]thiazole

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