3-(2-Ethoxyphenyl)propanoic acid

Base Information

• Chemical Name: 3-(2-Ethoxyphenyl)propanoic acid
• CAS No.: 220285-28-9
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Hs Code.: 2918990090
• European Community (EC) Number: 691-914-4
• DSSTox Substance ID: DTXSID50372683
• Wikidata: Q82160526
• Mol file: 220285-28-9.mol

Synonyms:3-(2-ethoxyphenyl)propanoic acid;220285-28-9;3-(2-ETHOXYPHENYL)PROPIONIC ACID;Benzenepropanoic acid, 2-ethoxy-;Maybridge4_000797;3-(2-Ethoxyphenyl)propanoicacid;F9995-0944;SCHEMBL1208625;Benzenepropanoic acid,2-ethoxy-;DTXSID50372683;HMS1523E05;MFCD00016549;AKOS000118450;IDI1_031379;EN300-13002;F52925;J-014433;Z89270870

Chemical Property of 3-(2-Ethoxyphenyl)propanoic acid

Chemical Property:

• Melting Point: 77-82℃
• Boiling Point: 319.1 °C at 760 mmHg
• PKA: 4.73±0.10(Predicted)
• Flash Point: 121.9 °C
• PSA: 46.53000
• Density: 1.116 g/cm³
• LogP: 2.10250
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-Ethoxyphenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC=C1CCC(=O)O

Technology Process of 3-(2-Ethoxyphenyl)propanoic acid

There total 10 articles about 3-(2-Ethoxyphenyl)propanoic acid 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: 67.0%

methyl 3-(2-ethoxyphenyl)propionate (1329812-54-5) → 3-(2-ethoxyphenyl)propionic acid (220285-28-9)

Guidance literature:

With potassium hydroxide; In methanol; at 60 ℃; for 16h; Inert atmosphere;

DOI:10.1016/j.bmc.2013.11.009

Reference yield:

methyl 3-(2-hydroxyphenyl)propionate (20349-89-7) → 3-(2-ethoxyphenyl)propionic acid (220285-28-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0 °C / Inert atmosphere

1.2: 1 h / 0 - 20 °C / Inert atmosphere

2.1: potassium hydroxide / methanol / 16 h / 60 °C / Inert atmosphere

With sodium hydride; potassium hydroxide; In methanol; N,N-dimethyl-formamide; mineral oil;

DOI:10.1016/j.bmc.2013.11.009

Reference yield:

salicylaldehyde (90-02-8) → 3-(2-ethoxyphenyl)propionic acid (220285-28-9)

Guidance literature:

Multi-step reaction with 4 steps

1.1: potassium tert-butylate / tetrahydrofuran / 0.17 h / 0 °C / Inert atmosphere

1.2: 2.08 h / Inert atmosphere

2.1: hydrogen; palladium 10% on activated carbon / methanol / 48 h / 1810.07 Torr / Inert atmosphere

3.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0 °C / Inert atmosphere

3.2: 1 h / 0 - 20 °C / Inert atmosphere

4.1: potassium hydroxide / methanol / 16 h / 60 °C / Inert atmosphere

With palladium 10% on activated carbon; potassium tert-butylate; hydrogen; sodium hydride; potassium hydroxide; In tetrahydrofuran; methanol; N,N-dimethyl-formamide; mineral oil;

DOI:10.1016/j.bmc.2013.11.009

upstream raw materials:

3-(2-hydroxyphenyl)propionic acid

ethyl iodide

o-ethoxy-cis-cinnamic acid

(E)-3-(2-ethoxyphenyl)prop-2-enoic acid

Refernces