Ethyl 3-(4-nitrophenyl)propanoate

Base Information

• Chemical Name: Ethyl 3-(4-nitrophenyl)propanoate
• CAS No.: 7116-34-9
• Molecular Formula: C11H13NO4
• Molecular Weight: 223.229
• DSSTox Substance ID: DTXSID90468418
• Nikkaji Number: J2.224.083H
• Wikidata: Q82295604
• Mol file: 7116-34-9.mol

Synonyms:ethyl 3-(4-nitrophenyl)propanoate;7116-34-9;3-(4-NITRO-PHENYL)-PROPIONIC ACID ETHYL ESTER;MFCD00126838;Benzenepropanoic acid, 4-nitro-, ethyl ester;SCHEMBL13991528;DTXSID90468418;ethyl3-(4-nitrophenyl)propanoate;AMY23649;Athyl-p-nitro-I(2)-phenylpropionat;AKOS009487974;AS-19207;CS-0322581;3-(4-nitrophenyl)-propionic acid ethyl ester

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

Chemical Property:

• Boiling Point: 338.2±17.0 °C(Predicted)
• PSA: 72.12000
• Density: 1.193±0.06 g/cm3(Predicted)
• LogP: 2.61370
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 223.08445790
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-(4-nitrophenyl)propanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC1=CC=C(C=C1)[N+](=O)[O-]

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

There total 15 articles about Ethyl 3-(4-nitrophenyl)propanoate 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: 100.0%

ethyl 4-nitrocinnamate (953-26-4) → ethyl 3-(4-nitrophenyl)propanoate (7116-34-9)

Guidance literature:

With C₅₀H₅₇IrN₂P; hydrogen; In dichloromethane; at -78 - 20 ℃;

DOI:10.1039/c1cc14367k

Reference yield: 92.0%

acrylaldehyde diethyl acetal (3054-95-3) + para-nitrophenyl bromide (586-78-7) → 3-(4-nitrophenyl)-2-propenal (1734-79-8) + ethyl 3-(4-nitrophenyl)propanoate (7116-34-9)

Guidance literature:

acrylaldehyde diethyl acetal; para-nitrophenyl bromide; With N-Methyldicyclohexylamine; tetrabutylammomium bromide; In N,N-dimethyl-formamide; at 120 ℃; for 6h;

With hydrogenchloride; In water; ethyl acetate; at 20 ℃; chemoselective reaction;

DOI:10.1002/ejoc.200800047

Reference yield: 86.0%

acrylaldehyde diethyl acetal (3054-95-3) + para-nitrophenyl bromide (586-78-7) → ethyl 3-(4-nitrophenyl)propanoate (7116-34-9)

Guidance literature:

With N-Methyldicyclohexylamine; tetrabutylammomium bromide; 4-hydroxyacetophenone oxime-derived palladacycle catalyst; In N,N-dimethyl acetamide; water; at 120 ℃; for 3h;

DOI:10.1016/j.tet.2005.06.059

upstream raw materials:

p-nitrocinnamic acid

ethanol

p-nitrobenzene iodide

2-ethoxycarbonyethylzinc iodide

Downstream raw materials:

3-{4-[bis-(2-hydroxy-ethyl)-amino]-phenyl}-propionic acid ethyl ester

ethyl 4-aminohydrocinnamate

3-(4-nitrophenyl)propyloxyamine hydrochloride

1-bromo-3-(4-nitrophenyl)propane

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