Ethyl 3-(4-aminophenyl)propanoate

Base Information

• Chemical Name: Ethyl 3-(4-aminophenyl)propanoate
• CAS No.: 7116-44-1
• Molecular Formula: C11H15NO2
• Molecular Weight: 193.246
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID30439945
• Wikidata: Q82256056
• Mol file: 7116-44-1.mol

Synonyms:Ethyl 3-(4-aminophenyl)propanoate;7116-44-1;ETHYL 3-(4-AMINOPHENYL)PROPIONATE;ethyl p-aminohydrocinnamate;ethyl 4-aminohydrocinnamate;ETHYL3-(4-AMINOPHENYL)PROPANOATE;3-(4-aminophenyl)propionic acid ethyl ester;Benzenepropanoic acid, 4-amino-, ethyl ester;Benzenepropanoic acid,4-amino-, ethyl ester;ethyl 4-aminobenzenepropanoate;SCHEMBL752665;3-(4-AMINO-PHENYL)-PROPIONIC ACID ETHYL ESTER;DTXSID30439945;NEXFMPAUGJAIHE-UHFFFAOYSA-N;ethyl 3-(4-aminophenyl) propanoate;MFCD07772969;AKOS010563508;ethyl beta-(4-aminophenyl)-propionate;MB04702;4-Aminobenzenepropanoic acid, ethyl ester;Benzenepropanoic acid,4-amino-,ethyl ester;CS-0434219;3-(4-aminophenyl)-propionic acid ethyl ester;EN300-147022;F20005

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

Chemical Property:

• Vapor Pressure: 0.000619mmHg at 25°C
• Refractive Index: 1.54
• Boiling Point: 309.9 °C at 760 mmHg
• Flash Point: 163.6 °C
• PSA: 52.32000
• Density: 1.088 g/cm³
• LogP: 2.34570
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

Ethyl3-(4-aminophenyl)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

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

There total 19 articles about Ethyl 3-(4-aminophenyl)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%

(E)-ethyl 3-(4-aminophenyl)acrylate (5048-82-8,198195-25-4) → ethyl 4-aminohydrocinnamate (7116-44-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 0 - 20 ℃; for 16h;

DOI:10.1016/j.bmc.2021.116085

Reference yield: 99.0%

ethyl 4-nitrocinnamate (953-26-4) → ethyl 4-aminohydrocinnamate (7116-44-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 6h; under 2585.7 Torr;

DOI:10.1021/jm00014a008

Reference yield: 98.0%

ethanol (64-17-5) + 3-(4-aminophenyl)propionic acid (2393-17-1) → ethyl 4-aminohydrocinnamate (7116-44-1)

Guidance literature:

With sulfuric acid; at 80 ℃; for 4h;

upstream raw materials:

ethyl 4-nitrocinnamate

(E)-ethyl 3-(4-aminophenyl)acrylate

pyrographite

ethyl (2Z)-3-(4-nitrophenyl)prop-2-enoate

Downstream raw materials:

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

3-(4-aminophenyl)propan-1-ol

3-(4-benzamidophenyl)propanoic acid

3-(4-benzenesulfonylamino-phenyl)-propionic acid ethyl ester

Refernces

• 1、 Kalola, Anirudhdha G.,Prasad, Pratibha,Mokariya, Jaydeep A.,Patel, Manish P.. "A mild and selective Cu(II) salts-catalyzed reduction of nitro, azo, azoxy, N-aryl hydroxylamine, nitroso, acid halide, ester, and azide compounds using hydrogen surrogacy of sodium borohydride". supporting information. p. 3565 - 3589. Retrieved 2021/10/12.
• 2、 Larionova, Natalia A.,Ondozabal, Jun Miyatake,Cambeiro, Xacobe C.. "Reduction of Electron-Deficient Alkenes Enabled by a Photoinduced Hydrogen Atom Transfer". supporting information. p. 558 - 564. Retrieved 2020/12/07.