3,4-Diethoxyphenylacetic acid

Base Information

• Chemical Name: 3,4-Diethoxyphenylacetic acid
• CAS No.: 38464-04-9
• Molecular Formula: C12H16O4
• Molecular Weight: 224.257
• Hs Code.: 2918990090
• European Community (EC) Number: 253-957-3
• DSSTox Substance ID: DTXSID80191783
• Nikkaji Number: J294.673D
• Wikidata: Q72469006
• Mol file: 38464-04-9.mol

Synonyms:3,4-Diethoxyphenylacetic acid;38464-04-9;2-(3,4-diethoxyphenyl)acetic acid;(3,4-diethoxyphenyl)acetic acid;3,4-Diethoxyphenyl Acetic Acid;(3,4-Diethoxy-phenyl)-acetic acid;EINECS 253-957-3;3,4-Diethoxyphenylaceticacid;Benzeneacetic acid, 3,4-diethoxy-;Cambridge id 7186671;Oprea1_806039;3,4-diethoxy-phenylacetic acid;SCHEMBL1883666;DTXSID80191783;HMS1590C05;BBL008119;MFCD00040785;STK002540;AKOS000308086;BS-4322;3,4-DIETHOXYBENZENE ACETIC ACID;AC-15715;BB 0248999;D3419;FT-0639475;EN300-98918;A50724;AG-205/40848496;SR-01000537038;SR-01000537038-1;W-106482

Chemical Property of 3,4-Diethoxyphenylacetic acid

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 1.01E-05mmHg at 25°C
• Melting Point: 77-79 °C
• Refractive Index: 1.518
• Boiling Point: 357.2 °C at 760 mmHg
• PKA: 4.36±0.10(Predicted)
• Flash Point: 134.1 °C
• PSA: 55.76000
• Density: 1.133 g/cm₃
• LogP: 2.11110
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2
• 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:

99% ^*data from raw suppliers

3,4-Diethoxyphenylacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)CC(=O)O)OCC

Technology Process of 3,4-Diethoxyphenylacetic acid

There total 13 articles about 3,4-Diethoxyphenylacetic 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: 95.9%

ethyl 2-(3,4-diethoxyphenyl)acetate (69373-87-1) → 3,4-diethoxy-phenyl-acetic acid (38464-04-9)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 50 - 60 ℃;

Reference yield: 93.5%

methyl 2-(3,4-diethoxyphenyl)acetate (92157-09-0) → 3,4-diethoxy-phenyl-acetic acid (38464-04-9)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 50 - 60 ℃;

Reference yield: 73.0%

1-(3,4-diethoxyphenyl)ethanone (1137-71-9) → 3,4-diethoxy-phenyl-acetic acid (38464-04-9)

Guidance literature:

1-(3,4-diethoxyphenyl)ethanone; With morpholine; sulfur; at 110 - 120 ℃; for 18h;

With sodium hydroxide; In water; at 100 ℃; for 8h;

upstream raw materials:

3,4-diethoxyphenylacetonitrile

methyl 2-(3,4-diethoxyphenyl)acetate

ethyl 2-(3,4-diethoxyphenyl)acetate

ethyl 2-(3,4-diethoxyphenyl)-2-oxoacetate

Downstream raw materials:

N-(3,4-diethoxyphenylacetyl)-β-(3,4-diethoxyphenyl)ethylamine

2-(2-methoxy-2-oxoethyl)phenyl 2-(3,4-diethoxyphenyl)acetate

2-(2-ethoxy-2-oxoethyl)phenyl 2-(3,4-diethoxyphenyl)acetate

(3,4-diethoxy-phenyl)-acetyl chloride

Refernces

• 1、 -. "Novel method for preparing drotaverine hydrochloride intermediate". Paragraph 0052-0054; 0061-0063. . Retrieved 2020/06/16.
• 2、 -. "Substituted indolinones, their manufacture and their use as medicaments". Page/Page column 17. . Retrieved 2010/02/08.