2-Ethoxy-5-[(4-ethylpiperazino)sulfonyl]nicotinic acid

Base Information

• Chemical Name: 2-Ethoxy-5-[(4-ethylpiperazino)sulfonyl]nicotinic acid
• CAS No.: 247582-73-6
• Molecular Formula: C₁₄H₂₁N₃O₅S
• Molecular Weight: 343.404
• ChEMBL ID: CHEMBL1485742
• DSSTox Substance ID: DTXSID60405390
• Mol file: 247582-73-6.mol

Synonyms:247582-73-6;2-ethoxy-5-[(4-ethylpiperazino)sulfonyl]nicotinic acid;2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxylic acid;2-Ethoxy-5-((4-ethylpiperazin-1-yl)sulfonyl)nicotinic acid;2-ETHOXY-5-(4-ETHYLPIPERAZINE-1-SULFONYL]NICOTINIC ACID;2-Ethoxy-5-(4-ethyl-1-piperazinylsulfonyl)nicotinic acid;MLS001099665;SCHEMBL3587341;CHEMBL1485742;DTXSID60405390;PCRIWLRXFJTJPJ-UHFFFAOYSA-N;HMS2995H13;AKOS005110170;MS-3711;SMR000672559;FT-0755798;SR-01000310186;SR-01000310186-1;2-Ethoxy-5-((4-ethylpiperazin-1-yl)sulfonyl)nicotinicacid;2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]pyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-

Chemical Property of 2-Ethoxy-5-[(4-ethylpiperazino)sulfonyl]nicotinic acid

Chemical Property:

• Boiling Point: 519.1±60.0 °C(Predicted)
• PKA: 3.06±0.10(Predicted)
• PSA: 108.42000
• Density: 1.322±0.06 g/cm3(Predicted)
• LogP: 1.46130
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 343.12019195
• Heavy Atom Count: 23
• Complexity: 499

Purity/Quality:

99% ^*data from raw suppliers

2-Ethoxy-5-[(4-ethylpiperazino)sulfonyl]nicotinic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(N=C2)OCC)C(=O)O

Technology Process of 2-Ethoxy-5-[(4-ethylpiperazino)sulfonyl]nicotinic acid

There total 15 articles about 2-Ethoxy-5-[(4-ethylpiperazino)sulfonyl]nicotinic 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: 57.4%

→ 2-Ethoxy-5-(4-ethylpiperazin-1-ylsulphonyl)pyridine-3-carboxylic Acid (247582-73-6)

Guidance literature:

Reference yield: 43.0%

2-Ethoxy-5-(4-ethylpiperazin-1-ylsulphonyl)pyridine-3-carboxylic Acid Ethyl Ester (247582-68-9) → 2-Ethoxy-5-(4-ethylpiperazin-1-ylsulphonyl)pyridine-3-carboxylic Acid (247582-73-6)

Guidance literature:

With sodium hydroxide; In water; toluene; at 25 ℃; for 10h;

Reference yield: 42.0%

→ 2-Ethoxy-5-(4-ethylpiperazin-1-ylsulphonyl)pyridine-3-carboxylic Acid (247582-73-6) + 4-[2-Ethoxy-5-(4-ethylpiperazin-1-ylsulphonyl)pyridin-3-ylcarboxamido]-1-(2-morpholin-4-yl)ethyl-3-n-propylpyrazole-5-carboxamide

Guidance literature:

upstream raw materials:

2-Ethoxy-5-(4-ethylpiperazin-1-ylsulphonyl)pyridine-3-carboxylic Acid Ethyl Ester

4-ethylpiperazine

sodium ethanolate

2-aminopyridine