3-(4-Ethoxy-3-methoxyphenyl)propanoic acid

Base Information

• Chemical Name: 3-(4-Ethoxy-3-methoxyphenyl)propanoic acid
• CAS No.: 30044-91-8
• Molecular Formula: C12H16O4
• Molecular Weight: 224.257
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID30429341
• Wikidata: Q82242346
• Mol file: 30044-91-8.mol

Synonyms:3-(4-ethoxy-3-methoxyphenyl)propanoic acid;30044-91-8;3-(4-Ethoxy-3-methoxyphenyl)propionic acid;3-(4-ethoxy-3-methoxyphenyl)propanoicacid;MFCD06823980;3-{4-ethoxy-3-methoxyphenyl}propionic acid;SCHEMBL3690496;DTXSID30429341;BTKVFGHQNRGQIB-UHFFFAOYSA-N;AKOS002674180;3-(3-methoxy-4-ethoxyphenyl)propionic acid;CS-0299273;FT-0766439;EN300-1852041;A853281;AS-871/43475802;3-(4-Ethoxy-3-methoxyphenyl)propanoic acid, AldrichCPR

Chemical Property of 3-(4-Ethoxy-3-methoxyphenyl)propanoic acid

Chemical Property:

• Melting Point: 130～132℃
• Boiling Point: 357.257 °C at 760 mmHg
• Flash Point: 134.126 °C
• PSA: 55.76000
• Density: 1.133 g/cm³
• LogP: 2.11110
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 224.10485899
• Heavy Atom Count: 16
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Ethoxy-3-methoxyphenyl)propionicAcid ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)CCC(=O)O)OC

Technology Process of 3-(4-Ethoxy-3-methoxyphenyl)propanoic acid

There total 6 articles about 3-(4-Ethoxy-3-methoxyphenyl)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:

ethyl 3-{4-ethoxy-3-methoxyphenyl}propionate → 3-(4-ethoxy-3-methoxyphenyl)-propionic acid (30044-91-8)

Guidance literature:

ethyl 3-{4-ethoxy-3-methoxyphenyl}propionate; With sodium hydroxide; ethanol; water; at 78 ℃; for 2h;

With hydrogenchloride; In water;

Reference yield:

4-ethoxy-3-methoxycinnamic acid (58168-81-3) → 3-(4-ethoxy-3-methoxyphenyl)-propionic acid (30044-91-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 2h; under 1810.02 Torr;

DOI:10.1016/S0031-9422(00)98527-3

Reference yield:

methyl 4-ethoxy-3-methoxycinnamate (10240-21-8) → 3-(4-ethoxy-3-methoxyphenyl)-propionic acid (30044-91-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.0 N NaOH / 0.5 h / 80 °C

2: H₂ / 10percent Pd-charcoal / methanol / 2 h / 1810.02 Torr

With sodium hydroxide; hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1016/S0031-9422(00)98527-3

upstream raw materials:

4-ethoxy-3-methoxycinnamic acid

Methyl ferulate

methyl 4-ethoxy-3-methoxycinnamate

Downstream raw materials:

2-(4-ethoxy-3-methoxyphenyl)ethylamine

3-(4-ethoxy-3-methoxy-phenyl)-propionic acid amide