3-(3-Ethoxyphenyl)propanoic acid

Base Information

• Chemical Name: 3-(3-Ethoxyphenyl)propanoic acid
• CAS No.: 28945-89-3
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.23
• Hs Code.: 2918990090
• European Community (EC) Number: 829-094-9
• NSC Number: 158652
• DSSTox Substance ID: DTXSID00303508
• Wikidata: Q82048841
• Mol file: 28945-89-3.mol

Synonyms:3-(3-ethoxyphenyl)propanoic acid;28945-89-3;3-(3-ETHOXYPHENYL)PROPIONIC ACID;benzenepropanoic acid, 3-ethoxy-;MFCD00016553;3-(3-Ethoxyphenyl)propanoicacid;NSC158652;3-Ethoxy-benzenepropanoic acid;SCHEMBL1205963;DTXSID00303508;AKOS002674156;NSC-158652;3-(3-ETHOXYPHENYL)PROPIONICACID;CS-0215972;FT-0655925;EN300-316048;F52926;A876576;Z600433044

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

Chemical Property:

• Vapor Pressure: 6.33E-05mmHg at 25°C
• Boiling Point: 331.2°Cat760mmHg
• PKA: 4.66±0.10(Predicted)
• Flash Point: 127.6°C
• PSA: 46.53000
• Density: 1.116g/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-(3-Ethoxyphenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC(=C1)CCC(=O)O

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

There total 4 articles about 3-(3-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: 40.0%

2-ethoxylbenzaldehyde (613-69-4) + acrylic acid (79-10-7) → 3-ethoxydihydrocinnamic acid (28945-89-3)

Guidance literature:

With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; manganese(III) triacetate dihydrate; silver(I) triflimide; In water; 1,2-dichloro-ethane; at 130 ℃; for 16h; regioselective reaction; Sealed tube;

DOI:10.1021/acs.orglett.9b04433

Reference yield:

ethyl bromide (74-96-4) + 3-(3-hydroxyphenyl)-propanoic acid (621-54-5) → 3-ethoxydihydrocinnamic acid (28945-89-3)

Guidance literature:

With sodium hydroxide; at 120 ℃;

Reference yield:

→ 3-ethoxydihydrocinnamic acid (28945-89-3)

Guidance literature:

With sodium amalgam; water;

upstream raw materials:

ethyl bromide

3-(3-hydroxyphenyl)-propanoic acid

ethanol

2-ethoxylbenzaldehyde

Downstream raw materials:

5-ethoxy-2,3-dihydro-1H-inden-1-one

Refernces