Ethyl 4-(3-nitrophenyl)benzoate

Base Information

• Chemical Name: Ethyl 4-(3-nitrophenyl)benzoate
• CAS No.: 108620-55-9
• Molecular Formula: C₁₅H₁₃NO₄
• Molecular Weight: 271.273
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID10571397
• Nikkaji Number: J940.493G
• Wikidata: Q82459475
• Mol file: 108620-55-9.mol

Synonyms:Ethyl 4-(3-nitrophenyl)benzoate;108620-55-9;Ethyl 3'-nitro-[1,1'-biphenyl]-4-carboxylate;Ethyl 3/'-nitro-[1,1/'-biphenyl]-4-carboxylate;Ethyl3'-nitro-[1,1'-biphenyl]-4-carboxylate;SCHEMBL5944038;DTXSID10571397;WCZWAMAIMGEQNT-UHFFFAOYSA-N;MFCD21332969;ethyl 3'-nitro-4-biphenylcarboxylate;BS-26205;CS-0210911;Ethyl 3'-nitro[1,1'-biphenyl]-4-carboxylate;A895233

Chemical Property of Ethyl 4-(3-nitrophenyl)benzoate

Chemical Property:

• PSA: 72.12000
• LogP: 3.96170
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 271.08445790
• Heavy Atom Count: 20
• Complexity: 344

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-(3-nitrophenyl)benzoate ^*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)C2=CC(=CC=C2)[N+](=O)[O-]

Technology Process of Ethyl 4-(3-nitrophenyl)benzoate

There total 7 articles about Ethyl 4-(3-nitrophenyl)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: 89.0%

ethyl 4-(((nonafluorobutyl)sulfonyl)oxy)benzoate (32848-24-1) + m-nitrobenzene boronic acid (13331-27-6) → ethyl 3'-amino-[1,1'-biphenyl]-4-carboxylate (108620-55-9)

Guidance literature:

With potassium phosphate; 1,1'-bis(diphenylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In 1,4-dioxane; at 80 ℃; for 1h;

DOI:10.1021/jo971636k

Reference yield: 89.0%

4-iodobenzoic acid ethyl ester (51934-41-9) + m-nitrobenzene boronic acid (13331-27-6) → ethyl 3'-amino-[1,1'-biphenyl]-4-carboxylate (108620-55-9)

Guidance literature:

With potassium carbonate; In ethanol; water; at 60 ℃; for 1.5h;

DOI:10.1016/j.catcom.2013.06.006

Reference yield:

Ethyl 4-bromobenzoate (5798-75-4) + m-nitrobenzene boronic acid (13331-27-6) → ethyl 3'-amino-[1,1'-biphenyl]-4-carboxylate (108620-55-9)

Guidance literature:

With sodium carbonate; palladium on activated charcoal; In ethanol; for 22h; Heating;

DOI:10.1039/b608213k

upstream raw materials:

ethanol

3'-nitro-biphenyl-4-carboxylic acid

ethyl 4-(((nonafluorobutyl)sulfonyl)oxy)benzoate

m-nitrobenzene boronic acid

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