Ethyl 4-[(4-fluorophenyl)methoxy]benzoate

Base Information

• Chemical Name: Ethyl 4-[(4-fluorophenyl)methoxy]benzoate
• CAS No.: 56441-59-9
• Molecular Formula: C16H15FO3
• Molecular Weight: 274.292
• ChEMBL ID: CHEMBL3278132
• DSSTox Substance ID: DTXSID60496344
• Wikidata: Q82345135

Synonyms:Ethyl 4-[(4-fluorophenyl)methoxy]benzoate;56441-59-9;CHEMBL3278132;SCHEMBL11603134;DTXSID60496344;WMGSTGHXGRZWEB-UHFFFAOYSA-N;AKOS008404364;ethyl 4-[(4-fluorobenzyl)oxy]benzoate;4-ethoxycarbonylphenoxy-(4'-fluorophenyl) methane

Chemical Property of Ethyl 4-[(4-fluorophenyl)methoxy]benzoate

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 274.10052250
• Heavy Atom Count: 20
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)F

Technology Process of Ethyl 4-[(4-fluorophenyl)methoxy]benzoate

There total 4 articles about Ethyl 4-[(4-fluorophenyl)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: 33.0%

Ethyl 4-hydroxybenzoate (120-47-8) + 4-Fluorobenzyl bromide (459-46-1) → ethyl 4‐(4‐fluorobenzyloxy)benzoate (56441-59-9)

Guidance literature:

Ethyl 4-hydroxybenzoate; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h; Cooling;

4-Fluorobenzyl bromide; In N,N-dimethyl-formamide; for 5h;

DOI:10.1002/jlcr.3779

Reference yield:

Ethyl 4-hydroxybenzoate (120-47-8) + 1-chloromethyl-4-fluorobenzene (352-11-4) → ethyl 4‐(4‐fluorobenzyloxy)benzoate (56441-59-9)

Guidance literature:

With sodium ethanolate;

DOI:10.1021/jm00221a007

Reference yield:

4-((4'-fluoro)benzyloxy)benzonitrile (56442-14-9) → ethyl 4‐(4‐fluorobenzyloxy)benzoate (56441-59-9)

Guidance literature:

In ethanol; water;

upstream raw materials:

Ethyl 4-hydroxybenzoate

1-chloromethyl-4-fluorobenzene

4-((4'-fluoro)benzyloxy)benzonitrile

4-Fluorobenzyl bromide

Downstream raw materials:

4-(4-fluorobenzyloxy)benzoic acid

C₁₉H₂₂FN₃O₃

C₁₅H₁₁FN₂O₃

[4‐(4‐fluorobenzyloxy)benzoyl]hydrazine

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