(2,5-Dimethoxyphenyl)acetic acid

Base Information

• Chemical Name: (2,5-Dimethoxyphenyl)acetic acid
• CAS No.: 1758-25-4
• Molecular Formula: C10H12O4
• Molecular Weight: 196.203
• Hs Code.: 29189900
• European Community (EC) Number: 217-151-5
• NSC Number: 74696
• DSSTox Substance ID: DTXSID1061948
• Nikkaji Number: J150.913F
• Wikidata: Q63391990
• ChEMBL ID: CHEMBL1429504
• Mol file: 1758-25-4.mol

Synonyms:Aceticacid, (2,5-dimethoxyphenyl)- (6CI,7CI,8CI);2,5-Dimethoxybenzeneacetic acid;2,5-Dimethoxyphenylacetic acid;2-(2,5-Dimethoxyphenyl)acetic acid;NSC 74696;

Chemical Property of (2,5-Dimethoxyphenyl)acetic acid

Chemical Property:

• Appearance/Colour: white to light brown crystalline powder
• Vapor Pressure: 3.15E-05mmHg at 25°C
• Melting Point: 123-125 °C(lit.)
• Refractive Index: 1.5430 (estimate)
• Boiling Point: 341.225 °C at 760 mmHg
• PKA: 4.03±0.10(Predicted)
• Flash Point: 134.793 °C
• PSA: 55.76000
• Density: 1.19 g/cm³
• LogP: 1.33090
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

2,5-DimethoxybenzeneaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22-36/37
• Safety Statements: 22-24/25-36/37-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)OC)CC(=O)O
• Uses: 2,5-Dimethoxybenzeneacetic Acid is a useful reagent for organic synthesis and also a pharmaceutical intermediate.

Technology Process of (2,5-Dimethoxyphenyl)acetic acid

There total 22 articles about (2,5-Dimethoxyphenyl)acetic 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: 98.3%

carbon dioxide (124-38-9,18923-20-1) + 2,5-dimethoxybenzyl bromide (60732-17-4) → (2,5-dimethoxyphenyl)acetic acid (1758-25-4)

Guidance literature:

2,5-dimethoxybenzyl bromide; With iodine; magnesium; In tetrahydrofuran; at 20 ℃; for 2h; Reflux; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; at 20 - 40 ℃; for 2h;

Reference yield: 98.0%

ethyl (2,5-dimethoxyphenyl)acetate (66469-86-1) → (2,5-dimethoxyphenyl)acetic acid (1758-25-4)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water;

Reference yield: 96.0%

2-(2,5-dimethoxyphenyl)acetonitrile (18086-24-3) → (2,5-dimethoxyphenyl)acetic acid (1758-25-4)

Guidance literature:

With sulfuric acid; acetic acid; In water; at 90 ℃; for 20h; Reagent/catalyst;

upstream raw materials:

2-(2,5-dimethoxyphenyl)acetonitrile

2,5-dimethoxybenzyl chloride

potassium cyanide

homogentisic acid methyl ester dimethyl ether

Downstream raw materials:

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

(3S)-5-[(2-chloro-6-fluorobenzyl)oxy]-3-{[(2S)-2-{[(2,5-dimethoxyphenyl)acetyl]amino}-3-methylbutanoyl]amino}-4-oxo-pentanoic Acid

2-(2,5-dimethoxyphenyl)acetonitrile

2,5-dimethoxybenzonitrile

Refernces

• 1、 -. "Preparation method of 2, 5-dimethoxyphenylacetic acid". . . Retrieved 2021/01/29.
• 2、 Kennedy, Michael,McKervey, M. Anthony,Maguire, Anita R.,Naughton, Sean. "Organic Synthesis with α-Chloro Sulphides. Preparation of Aromatic γ-Lactones from Phenols and α-Chloro Sulphide Carboxylates". . p. 1041 - 1045. Retrieved 2007/10/02.