Ethyl 2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate

Base Information

• Chemical Name: Ethyl 2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate
• CAS No.: 427885-83-4
• Molecular Formula: C17H19NO5
• Molecular Weight: 317.342
• DSSTox Substance ID: DTXSID50583116
• Wikidata: Q82474633
• Mol file: 427885-83-4.mol

Synonyms:427885-83-4;Ethyl 2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate;Ethyl 2-(3,4,5-trimethoxyphenyl)isonicotinate;SCHEMBL4122249;DTXSID50583116;VZFJQRIDOLQYLN-UHFFFAOYSA-N;MFCD09953140;Ethyl2-(3,4,5-trimethoxyphenyl)isonicotinate;ethyl 2-(3,4,5-Trimethoxyphenyl)-isonicotinate

Chemical Property of Ethyl 2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate

Chemical Property:

• PSA: 66.88000
• LogP: 2.95110
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 317.12632271
• Heavy Atom Count: 23
• Complexity: 364

Purity/Quality:

Ethyl2-(3,4,5-trimethoxyphenyl)isonicotinate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=NC=C1)C2=CC(=C(C(=C2)OC)OC)OC

Technology Process of Ethyl 2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate

There total 2 articles about Ethyl 2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate 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: 88.0%

ethyl 2-chloroisonicotinate (54453-93-9) + 3,4,5-trimethoxyphenylboronic Acid (182163-96-8) → ethyl 2-(3,4,5-Trimethoxyphenyl)-isonicotinate (427885-83-4)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; toluene; at 90 ℃;

Reference yield:

→ ethyl 2-(3,4,5-Trimethoxyphenyl)-isonicotinate (427885-83-4)

Guidance literature:

Reference yield: 90.0%

ethyl 2-(3,4,5-Trimethoxyphenyl)-isonicotinate (427885-83-4) → 2-(3,4,5-trimethoxyphenyl)isonicotinic Acid (427886-03-1)

Guidance literature:

ethyl 2-(3,4,5-Trimethoxyphenyl)-isonicotinate; With potassium hydroxide; ethanol; water; at 20 ℃; for 5h;

With water; pH=7;

upstream raw materials:

ethyl 2-chloroisonicotinate

3,4,5-trimethoxyphenylboronic Acid

Downstream raw materials:

4-hydroxymethyl-2-(3,4,5-trimethoxyphenyl)-pyridine

4-chloromethyl-2-(3,4,5-trimethoxyphenyl)-pyridine

2-(3,4,5-trimethoxyphenyl)isonicotinic Acid