Methyl 3-[(2,4-dichlorophenyl)methoxy]benzoate

Base Information

• Chemical Name: Methyl 3-[(2,4-dichlorophenyl)methoxy]benzoate
• CAS No.: 58041-99-9
• Molecular Formula: C15H12Cl2O3
• Molecular Weight: 311.16
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID20363427
• Wikidata: Q82147119
• Mol file: 58041-99-9.mol

Synonyms:58041-99-9;methyl 3-[(2,4-dichlorophenyl)methoxy]benzoate;methyl 3-[(2,4-dichlorobenzyl)oxy]benzenecarboxylate;Methyl 3-((2,4-dichlorobenzyl)oxy)benzoate;Methyl 3-[(2,4-dichlorobenzyl)oxy]-benzenecarboxylate;methyl 3-[(2,4-dichlorobenzyl)oxy]benzoate;DTXSID20363427;MFCD01568893;AKOS005069809;CS-0365406;FT-0680131;1P-031;A869539;J-522065

Chemical Property of Methyl 3-[(2,4-dichlorophenyl)methoxy]benzoate

Chemical Property:

• Vapor Pressure: 3.51E-07mmHg at 25°C
• Melting Point: 116-118°
• Refractive Index: 1.584
• Boiling Point: 417.6°Cat760mmHg
• Flash Point: 163.7°C
• PSA: 35.53000
• Density: 1.318g/cm³
• LogP: 4.35900
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 310.0163496
• Heavy Atom Count: 20
• Complexity: 324

Purity/Quality:

97% ^*data from raw suppliers

Methyl 3-[(2,4-dichlorobenzyl)oxy]-benzenecarboxylate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=CC=C1)OCC2=C(C=C(C=C2)Cl)Cl

Technology Process of Methyl 3-[(2,4-dichlorophenyl)methoxy]benzoate

There total 3 articles about Methyl 3-[(2,4-dichlorophenyl)methoxy]benzoate 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:

methyl 3-hydroxybenzoate (19438-10-9) + 2,4-dichlorobenzyl bromide (20443-99-6) → 3-[(2,4-dichlorophenyl)methoxy]-benzoic acid, methyl ester (58041-99-9)

Guidance literature:

methyl 3-hydroxybenzoate; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

2,4-dichlorobenzyl bromide; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1016/j.ejmech.2019.01.032

Reference yield:

3-Carboxyphenol (99-06-9) → 3-[(2,4-dichlorophenyl)methoxy]-benzoic acid, methyl ester (58041-99-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: thionyl chloride / 60 °C

2.1: potassium carbonate / N,N-dimethyl-formamide / 0.5 h / 20 °C

2.2: 80 °C

With thionyl chloride; potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2019.01.032

Reference yield:

→ 3-[(2,4-dichlorophenyl)methoxy]-benzoic acid, methyl ester (58041-99-9)

Guidance literature:

m-HO-C6H4-CO2CH3, o,p-Dichlorbenzylchlorid, NaH;

upstream raw materials:

methyl 3-hydroxybenzoate

2,4-dichlorobenzyl bromide

3-Carboxyphenol

Downstream raw materials:

C₁₄H₉Cl₃O₂

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