Ethyl 3-(4-hydroxyphenyl)propanoate

Base Information

• Chemical Name: Ethyl 3-(4-hydroxyphenyl)propanoate
• CAS No.: 23795-02-0
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Hs Code.: 2918290000
• European Community (EC) Number: 653-330-8
• DSSTox Substance ID: DTXSID80371361
• Nikkaji Number: J1.776.138B
• Wikidata: Q72475220
• Mol file: 23795-02-0.mol

Synonyms:Ethyl 3-(4-hydroxyphenyl)propanoate;23795-02-0;Ethyl p-hydroxyhydrocinnamate;ETHYL 4-HYDROXYHYDROCINNAMATE;Ethyl phloretate;ethyl 3-(4-hydroxyphenyl)propionate;Benzenepropanoic acid, 4-hydroxy-, ethyl ester;MFCD00020209;Ethyl4-Hydroxyhydrocinnamate;Ethyl3-(4-Hydroxyphenyl)propanoate;SCHEMBL304455;ethyl 4-hydroxybenzenepropanoate;AMY3907;DTXSID80371361;UFMFPPAZUJDUMY-UHFFFAOYSA-N;ethyl 4-hydroxyphenyl-3-propanoate;ethyl 3-(4-hydroxyphenyl)-propionate;4-(3-Ethoxy-3-oxoprop-1-yl)phenol;AKOS006229237;Ethyl 3-(4'-hydroxyphenyl)propionate;PS-6027;4-Hydroxybenzenepropionic acid ethyl ester;SY018459;FT-0625987;3-(4-hydroxyphenyl)propanoic acid ethyl ester;3-(4-Hydroxyphenyl)propionic acid ethyl ester;3-(4 Hydroxy-phenyl)-propionic acid ethyl ester;3-(4-hydroxy-phenyl)-propionic acid ethyl ester;A816908;W-206855

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

Chemical Property:

• Vapor Pressure: 0.000381mmHg at 25°C
• Melting Point: 40 °C
• Refractive Index: 1.526
• Boiling Point: 308.2 °C at 760 mmHg
• PKA: 9.99±0.15(Predicted)
• Flash Point: 128.6 °C
• PSA: 46.53000
• Density: 1.118 g/cm³
• LogP: 1.88790
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 171

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC1=CC=C(C=C1)O

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

There total 20 articles about Ethyl 3-(4-hydroxyphenyl)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: 98.0%

ethyl 3-(4-hydroxyphenyl)prop-2-enoate (7361-92-4,7362-39-2,2979-06-8) → 3-(4-hydroxy-phenyl)-propionic acid ethyl ester (23795-02-0)

Guidance literature:

With palladium on activated carbon; hydrogen; In ethyl acetate; at 20 ℃;

DOI:10.1016/j.tetlet.2016.06.102

Reference yield: 96.0%

ethyl (E)-4-hydroxycinnamate (2979-06-8,7361-92-4,7362-39-2) → 3-(4-hydroxy-phenyl)-propionic acid ethyl ester (23795-02-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1002/anie.201601999

Reference yield: 91.0%

4-hydroxyphenylpropionic acid (501-97-3) → 3-(4-hydroxy-phenyl)-propionic acid ethyl ester (23795-02-0)

Guidance literature:

DOI:10.1021/jo9819382

upstream raw materials:

ethyl 2-fluoro-3-<4-(4-chlorobenzyloxy)phenyl>acrylate

ethyl iodide

4-hydroxyphenylpropionic acid

4-[(4-chlorobenzyl)oxy]benzaldehyde

Downstream raw materials:

Ethyl 4-[(3-bromopropyl)oxy]benzenepropanoate

ethyl 3-(4-{[3-(hexahydro-1H-azepin-1-yl)propyl]oxy}phenyl)propanoate

4-(2-carboxybenzyloxy)-α-methylphenylacetic acid

3-(4-hydroxyphenyl)propionic acid methyl ester

Refernces

• 1、 Au, Chi-Ming,Ling, Cho-Hon,Sun, Wenlong,Yu, Wing-Yiu. "Ruthenium-catalyzed intramolecular arene C(sp2)-H amidation for synthesis of 3,4-dihydroquinolin-2(1 H)-ones". . p. 3310 - 3314. Retrieved 2021/05/29.
• 2、 Zong, Guanghui,Hu, Zhijian,O'Keefe, Sarah,Tranter, Dale,Iannotti, Michael J.,Baron, Ludivine,Hall, Belinda,Corfield, Katherine,Paatero, Anja O.,Henderson, Mark J.,Roboti, Peristera,Zhou, Jianhong,Sun, Xianwei,Govindarajan, Mugunthan,Rohde, Jason M.,Blanchard, Nicolas,Simmonds, Rachel,Inglese, James,Du, Yuchun,Demangel, Caroline,High, Stephen,Paavilainen, Ville O.,Shi, Wei Q.. "Ipomoeassin F Binds Sec61α to Inhibit Protein Translocation". supporting information. p. 8450 - 8461. Retrieved 2019/06/04.