6-Piperazin-1-ylnicotinic acid

Base Information

• Chemical Name: 6-Piperazin-1-ylnicotinic acid
• CAS No.: 278803-18-2
• Molecular Formula: C₁₀H₁₃N₃O₂
• Molecular Weight: 207.232
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID50378069
• Mol file: 278803-18-2.mol

Synonyms:278803-18-2;6-PIPERAZIN-1-YLNICOTINIC ACID;6-(Piperazin-1-yl)nicotinic acid;6-Piperazin-1-yl-nicotinic acid;6-(piperazin-1-yl)pyridine-3-carboxylic acid;6-piperazin-1-ylpyridine-3-carboxylic Acid;MFCD05182225;SCHEMBL1896186;6-(1-piperazinyl)nicotinic acid;DTXSID50378069;UMYHUVUKIGFYAI-UHFFFAOYSA-N;BBL100633;STL554427;AKOS005254672;6-PIPERAZIN-1-YL-NICOTINICACID;MS-20053;6-(1-piperazinyl)-3-pyridinecarboxylic acid;6-piperazin-1-yl-nicotinic acid, AldrichCPR;FT-0701960;EN300-143889

Chemical Property of 6-Piperazin-1-ylnicotinic acid

Chemical Property:

• Vapor Pressure: 3.71E-09mmHg at 25°C
• Refractive Index: 1.585
• Boiling Point: 457.3 °C at 760 mmHg
• Flash Point: 230.4 °C
• PSA: 65.46000
• Density: 1.267 g/cm³
• LogP: 0.58320
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 207.100776666
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

6-(1-Piperazinyl)-3-pyridinecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=NC=C(C=C2)C(=O)O

Technology Process of 6-Piperazin-1-ylnicotinic acid

There total 3 articles about 6-Piperazin-1-ylnicotinic 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: 82.0%

6-(4-ethoxycarbonyl-1-piperazinyl)nicotinic acid → 6-(piperazin-1-yl)pyridine-3-carboxylic acid (278803-18-2)

Guidance literature:

With potassium hydroxide; In water;

Reference yield: 74.0%

tert-butyl 4-(5-(methoxycarbonyl)pyridin-2-yl)piperazine-1-carboxylate (857284-21-0) → 6-(piperazin-1-yl)pyridine-3-carboxylic acid (278803-18-2)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; ethanol; at 60 ℃; for 4h;

Reference yield:

6-Chloronicotinic acid methyl ester (73781-91-6) → 6-(piperazin-1-yl)pyridine-3-carboxylic acid (278803-18-2)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / N,N-dimethyl-formamide / 16 h / 80 °C

2: sodium hydroxide / tetrahydrofuran; ethanol / 4 h / 60 °C

With triethylamine; sodium hydroxide; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide;

upstream raw materials:

tert-butyl 4-(5-(methoxycarbonyl)pyridin-2-yl)piperazine-1-carboxylate

6-Chloronicotinic acid methyl ester

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