1-(5-nitropyridin-2-yl)piperidine-4-carboxylic Acid

Base Information

• Chemical Name: 1-(5-nitropyridin-2-yl)piperidine-4-carboxylic Acid
• CAS No.: 868077-44-5
• Molecular Formula: C₁₁H₁₃N₃O₄
• Molecular Weight: 251.242
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50377113
• Mol file: 868077-44-5.mol

Synonyms:868077-44-5;1-(5-nitropyridin-2-yl)piperidine-4-carboxylic Acid;1-(5-nitro-2-pyridinyl)piperidine-4-carboxylic acid;1-(5-nitro-2-pyridinyl)-4-piperidinecarboxylic acid;5'-nitro-3,4,5,6-tetrahydro-2h-[1,2']bipyridinyl-4-carboxylic acid;1-(5-Nitropyridin-2-yl)-4-piperidine carboxylic acid;1-(5-Nitro-2-pyridinyl)-4-piperidinecarboxylicacid;SCHEMBL3540028;DTXSID50377113;MFCD06200945;STK616433;AKOS000142896;MB03686;CS-0314500;FT-0701407;2Y-0705;A863039;1-(5-nitropyridin-2-yl)piperidine-4-carboxylicAcid;1-(5-nitropyridin-2-yl)-4-piperidinecarboxylic acid

Chemical Property of 1-(5-nitropyridin-2-yl)piperidine-4-carboxylic Acid

Chemical Property:

• Vapor Pressure: 5.13E-11mmHg at 25°C
• Boiling Point: 504.9ºC at 760 mmHg
• Flash Point: 259.2ºC
• PSA: 99.25000
• Density: 1.403g/cm3
• LogP: 1.87900
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 251.09060590
• Heavy Atom Count: 18
• Complexity: 323

Purity/Quality:

98%min ^*data from raw suppliers

1-(5-Nitropyridin-2-yl)piperidine-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1C(=O)O)C2=NC=C(C=C2)[N+](=O)[O-]

Technology Process of 1-(5-nitropyridin-2-yl)piperidine-4-carboxylic Acid

There total 1 articles about 1-(5-nitropyridin-2-yl)piperidine-4-carboxylic 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: 75.0%

isonipecotic acid (498-94-2) + 2-chloro-5-nitropyridine (4548-45-2) → 1-(5-nitropyridin-2-yl)piperidine-4-carboxylic acid (868077-44-5)

Guidance literature:

In phenol; at 140 ℃; for 12h;

Reference yield:

1-(5-nitropyridin-2-yl)piperidine-4-carboxylic acid (868077-44-5) → (4-[3-piperidinopropoxy]phenyl)-(1-[5-aminopyridin-2-yl]piperidin-4-yl)methanone

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂ / tetrahydrofuran / 2 h / 50 °C

2: AlCl₃ / nitrobenzene / 72 h / 20 °C

3: 82 percent / H₂ / 10 percent Pd/C / tetrahydrofuran / 12 h / 20 °C / 750.06 Torr

With aluminium trichloride; thionyl chloride; hydrogen; palladium on activated charcoal; In tetrahydrofuran; nitrobenzene; 2: Friedel-Crafts acylation;

Reference yield:

1-(5-nitropyridin-2-yl)piperidine-4-carboxylic acid (868077-44-5) → (4-[3-piperidinopropoxy]phenyl)-(1-[5-nitropyridin-2-yl]piperidin-4-yl)methanone (868077-45-6)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / tetrahydrofuran / 2 h / 50 °C

2: AlCl₃ / nitrobenzene / 72 h / 20 °C

With aluminium trichloride; thionyl chloride; In tetrahydrofuran; nitrobenzene; 2: Friedel-Crafts acylation;

upstream raw materials:

isonipecotic acid

2-chloro-5-nitropyridine

Downstream raw materials:

(4-[3-piperidinopropoxy]phenyl)-(1-[5-nitropyridin-2-yl]piperidin-4-yl)methanone

Refernces