Ethyl 2,5-dimethoxyphenylacetate

Base Information

• Chemical Name: Ethyl 2,5-dimethoxyphenylacetate
• CAS No.: 66469-86-1
• Molecular Formula: C12H16O4
• Molecular Weight: 224.257
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID50407848
• Nikkaji Number: J2.304.579F
• Mol file: 66469-86-1.mol

Synonyms:Ethyl 2,5-dimethoxyphenylacetate;66469-86-1;Ethyl 2-(2,5-dimethoxyphenyl)acetate;ETHYL2,5-DIMETHOXYPHENYLACETATE;SCHEMBL3800298;DTXSID50407848;RNNQUXSAPFQIOP-UHFFFAOYSA-N;ethyl (2,5-dimethoxyphenyl)acetate;AKOS009166748;Ethyl 2,5-dimethoxyphenylacetate,99%;2,5-dimethoxyphenylacetic acid ethyl ester;CS-0454728;FT-0757963;ETHYL 2,5-DIMETHOXYPHENYLACETATE, 99%

Chemical Property of Ethyl 2,5-dimethoxyphenylacetate

Chemical Property:

• Vapor Pressure: 0.000633mmHg at 25°C
• Refractive Index: n20/D 1.513(lit.)
• Boiling Point: 162-165 °C8 mm Hg(lit.)
• Flash Point: 160 °F
• PSA: 44.76000
• Density: 1.12 g/mL at 25 °C(lit.)
• LogP: 1.80940
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• 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

Ethyl 2,5-dimethoxyphenylacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=C(C=CC(=C1)OC)OC

Technology Process of Ethyl 2,5-dimethoxyphenylacetate

There total 9 articles about Ethyl 2,5-dimethoxyphenylacetate 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: 89.0%

ethanol (64-17-5) + (2,5-dimethoxyphenyl)acetic acid (1758-25-4) → ethyl (2,5-dimethoxyphenyl)acetate (66469-86-1)

Guidance literature:

With sulfuric acid; for 5h; Heating;

DOI:10.1021/jm00068a021

Reference yield: 77.0%

ethanol (64-17-5) + 2,5-dimethoxyphenylacetyl chloride (52711-92-9) → ethyl (2,5-dimethoxyphenyl)acetate (66469-86-1)

Guidance literature:

With pyridine; for 8h; Heating;

Reference yield:

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

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / benzene / 3 h / Heating

2: 77 percent / pyridine / 8 h / Heating

With pyridine; thionyl chloride; In benzene;

upstream raw materials:

2-(2,5-dimethoxyphenyl)acetonitrile

ethanol

2,5-dimethoxyphenylacetyl chloride

(2,5-dimethoxyphenyl)acetic acid

Downstream raw materials:

2-(2,5-dimethoxy-phenyl)-N-thiazol-2-yl-acetamide

N-(6-chlorobenzothiazole-2-yl)-2-(2,5-dimethoxyphenyl)acetamide

N-(6-methoxybenzothiazole-2-yl)-2-(2,5-dimethoxyphenyl)acetamide

2-(2,5-dimethoxyphenyl)ethylbromide

Refernces

• 1、 Cannon,Kirschbaum,Amoo,Johnson,Long. "2,5-Dimethoxy congeners of (+)- and (-)-3-(3-hydroxyphenyl)-N-n- propylpiperidine". . p. 2416 - 2419. Retrieved 2007/10/02.
• 2、 Kong, Josephine L. Y.,Loach, Paul A.. "Syntheses of Covalently-Linked Porphyrin-Quinone Complexes (1)". . p. 737 - 744. Retrieved 2007/10/02.