4-Ethoxy-3-methoxyphenylacetic acid

Base Information

• Chemical Name: 4-Ethoxy-3-methoxyphenylacetic acid
• CAS No.: 120-13-8
• Molecular Formula: C11H14O4
• Molecular Weight: 210.23
• Hs Code.: 2918990090
• European Community (EC) Number: 204-372-7
• NSC Number: 62696
• DSSTox Substance ID: DTXSID6074467
• Nikkaji Number: J265.578K
• Wikidata: Q72471763
• Mol file: 120-13-8.mol

Synonyms:4-Ethoxy-3-methoxyphenylacetic acid;120-13-8;2-(4-ethoxy-3-methoxyphenyl)acetic acid;(4-ethoxy-3-methoxyphenyl)acetic acid;Benzeneacetic acid, 4-ethoxy-3-methoxy-;EINECS 204-372-7;NSC62696;SCHEMBL3527450;DTXSID6074467;AMY24756;4-Ethoxy-3-methoxybenzeneacetic acid;BBL021193;MFCD00016831;NSC 62696;NSC-62696;STK893899;AKOS002671991;(4-Ethoxy-3-methoxy-phenyl)-acetic acid;AS-63954;Acetic acid, (4-ethoxy-3-methoxyphenyl)-;A2508;BB 0249009;CS-0061639;FT-0631689;EN300-1848107

Chemical Property of 4-Ethoxy-3-methoxyphenylacetic acid

Chemical Property:

• Vapor Pressure: 2.56E-05mmHg at 25°C
• Melting Point: 122-124 °C
• Refractive Index: 1.522
• Boiling Point: 344.144 °C at 760 mmHg
• PKA: 4.35±0.10(Predicted)
• Flash Point: 132.005 °C
• PSA: 55.76000
• Density: 1.159 g/cm³
• LogP: 1.72100
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 210.08920892
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

4-Ethoxy-3-methoxyphenylacetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)CC(=O)O)OC
• Uses: Intermediate.

Technology Process of 4-Ethoxy-3-methoxyphenylacetic acid

There total 4 articles about 4-Ethoxy-3-methoxyphenylacetic 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:

→ 4-ethoxy-3-methoxyphenylacetic acid (120-13-8)

Guidance literature:

With potassium hydroxide; anschliessendes Behandeln mit wss. Wasserstoffperoxid;

Reference yield:

(4-ethoxy-3-methoxy-phenyl)-pyruvic acid (66488-86-6) → 4-ethoxy-3-methoxyphenylacetic acid (120-13-8)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide;

Reference yield:

tetraethyl dimethylaminomethylenediphosphonate (18855-52-2) + 4-ethoxy-3-methoxybenzaldehyde (120-25-2) → 4-ethoxy-3-methoxyphenylacetic acid (120-13-8)

Guidance literature:

With hydrogenchloride; sodium hydride; Yield given. Multistep reaction; 1.) 80 deg C, 3 h, 2.) heated on water bath;

upstream raw materials:

(4-ethoxy-3-methoxy-phenyl)-pyruvic acid

tetraethyl dimethylaminomethylenediphosphonate

4-ethoxy-3-methoxybenzaldehyde

Downstream raw materials:

C₂₅H₂₆N₆O₃

(4-ethoxy-5-methoxy-2-nitro-phenyl)-acetic acid-(3,4-dimethoxy-phenethylamide)

7-ethoxy-6-methoxy-4-(3,4-dimethoxybenzyl)isochroman-3-one

7-ethoxy-6-methoxy-4-(3,4-dimethoxybenzylidene)isochroman-3-one

Refernces