Ethyl 2-ethoxynicotinate

Base Information

• Chemical Name: Ethyl 2-ethoxynicotinate
• CAS No.: 15441-51-7
• Molecular Formula: C10H13NO3
• Molecular Weight: 195.218
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID90489724
• Mol file: 15441-51-7.mol

Synonyms:Ethyl 2-ethoxynicotinate;15441-51-7;Ethyl 2-ethoxypyridine-3-carboxylate;Ethyl2-ethoxynicotinate;SCHEMBL1313733;DTXSID90489724;WJIBAKMAWMCQDU-UHFFFAOYSA-N;MFCD18207652;AKOS027425723;AS-8274;SB54615;CS-0195647;E91385

Chemical Property of Ethyl 2-ethoxynicotinate

Chemical Property:

• PSA: 48.42000
• LogP: 1.65700
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 2-ethoxynicotinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=CC=N1)C(=O)OCC

Technology Process of Ethyl 2-ethoxynicotinate

There total 8 articles about Ethyl 2-ethoxynicotinate 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: 94.0%

→ 2-Ethoxypyridine-3-carboxylic Acid Ethyl Ester (15441-51-7) + 2-Ethoxypyridine-3-carboxylic acid (35969-54-1)

Guidance literature:

Reference yield: 65.0%

sodium ethanolate (141-52-6) + ethyl 2-chloronicotinate (1452-94-4) → 2-Ethoxypyridine-3-carboxylic Acid Ethyl Ester (15441-51-7)

Guidance literature:

In ethanol; at 20 ℃; for 12h;

Reference yield: 61.0%

→ 2-Ethoxypyridine-3-carboxylic Acid Ethyl Ester (15441-51-7) + 2-ethoxy-5-nitropyridine-3-carboxylic acid ethyl ester (146512-21-2)

Guidance literature:

upstream raw materials:

2-Ethoxypyridine-3-carboxylic acid

ethyl iodide

sodium ethanolate

ethyl 2-chloronicotinate

Downstream raw materials:

meso-4,5-bis-(4-chloro-phenyl)-2-(2-ethoxy-pyridin-3-yl)-4,5-dihydro-1H-imidazole

Refernces

• 1、 Bayliss, Tracy,Robinson, David A.,Smith, Victoria C.,Brand, Stephen,McElroy, Stuart P.,Torrie, Leah S.,Mpamhanga, Chido,Norval, Suzanne,Stojanovski, Laste,Brenk, Ruth,Frearson, Julie A.,Read, Kevin D.,Gilbert, Ian H.,Wyatt, Paul G.. "Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors". . p. 9790 - 9806. Retrieved 2017/12/26.
• 2、 -. "Cis-imidazolines". Page/Page column 6. . Retrieved 2010/11/27.