Ethyl 3,5-dichloro-4-methoxybenzoate

Base Information

• Chemical Name: Ethyl 3,5-dichloro-4-methoxybenzoate
• CAS No.: 15945-28-5
• Molecular Formula: C10H10 Cl2 O3
• Molecular Weight: 249.094
• European Community (EC) Number: 240-080-6
• DSSTox Substance ID: DTXSID50166665
• Nikkaji Number: J219.908D
• Wikidata: Q83035871
• Mol file: 15945-28-5.mol

Synonyms:Ethyl 3,5-dichloro-4-methoxybenzoate;15945-28-5;3,5-Dichloro-4-methoxybenzoic acid ethyl ester;EINECS 240-080-6;Benzoic acid, 3,5-dichloro-4-methoxy-, ethyl ester;SCHEMBL3243690;DTXSID50166665;MFCD00017265;AKOS017265776;CS-0191765;FT-0738240;E89336;3,5-DICHLORO-4-METHOXYBENZOICACIDETHYLESTER

Chemical Property of Ethyl 3,5-dichloro-4-methoxybenzoate

Chemical Property:

• Vapor Pressure: 9.44E-05mmHg at 25°C
• Melting Point: 60-61 °C(Solv: ethanol (64-17-5))
• Boiling Point: 339°Cat760mmHg
• Flash Point: 141.1°C
• PSA: 35.53000
• Density: 1.299g/cm³
• LogP: 3.17870
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 248.0006996
• Heavy Atom Count: 15
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

ethyl3,5-dichloro-4-methoxybenzoate 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=C(C(=C1)Cl)OC)Cl

Technology Process of Ethyl 3,5-dichloro-4-methoxybenzoate

There total 2 articles about Ethyl 3,5-dichloro-4-methoxybenzoate 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: 94.0%

ethyl 3,5-dichloro-4-hydroxybenzoate (17302-82-8) + methyl iodide (74-88-4) → ethyl 3,5-dichloro-4-methoxybenzoate (15945-28-5)

Guidance literature:

ethyl 3,5-dichloro-4-hydroxybenzoate; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

DOI:10.1021/ja311729d

Reference yield:

→ ethyl 3,5-dichloro-4-methoxybenzoate (15945-28-5)

Guidance literature:

Anissaeureethylester (CHCl3, 1percent I2), 1. Cl2 (Einleiten, exotherme Rk., Temp.anstieg bis ca.110grad), 2. Dichlorethan (nach Absinken d. Temp. auf 65grad, Eindampfen bei 70grad i.Vak.);

Reference yield: 87.0%

ethyl 3,5-dichloro-4-methoxybenzoate (15945-28-5) → 3,5-dichloro-4-methoxybenzohydrazide (22631-59-0)

Guidance literature:

With hydrazine hydrate; In methanol; for 2h; Inert atmosphere; Reflux;

DOI:10.1021/ja311729d

upstream raw materials:

ethyl 3,5-dichloro-4-hydroxybenzoate

methyl iodide

Downstream raw materials:

3,5-dichloro-4-methoxybenzohydrazide

3-(5-(3,5-dichloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzene-1-sulfonyl fluoride

4-chloro-3-(5-(3,5-dichloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzene-1-sulfonyl fluoride

3-(5-(3,5-dichloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4-iodobenzene-1-sulfonyl fluoride

Refernces