Diethyl 2-(5-nitropyridin-2-yl)malonate

Base Information

• Chemical Name: Diethyl 2-(5-nitropyridin-2-yl)malonate
• CAS No.: 60891-70-5
• Molecular Formula: C12H14N2O6
• Molecular Weight: 282.253
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10383215
• Wikidata: Q82174860
• Mol file: 60891-70-5.mol

Synonyms:Diethyl 2-(5-nitropyridin-2-yl)malonate;60891-70-5;diethyl 2-(5-nitropyridin-2-yl)propanedioate;2-(5-Nitro-pyridin-2-yl)-malonic acid diethyl ester;DIETHYL (5-NITROPYRIDIN-2-YL)MALONATE;2-(5-Nitropyridin-2-yl)-malonic acid diethyl ester;CBDivE_012171;SCHEMBL1645438;DTXSID10383215;QZPKVECFUKSRKG-UHFFFAOYSA-N;Diethyl 5-nitro-2pyridyl-malonate;AMY31806;MFCD06654831;Diethyl(5-nitropyridin-2-yl)malonate;AKOS015967443;Diethyl2-(5-nitropyridin-2-yl)malonate;CS-0326875;FT-0765425;1,3-diethyl 2-(5-nitropyridin-2-yl)propanedioate

Chemical Property of Diethyl 2-(5-nitropyridin-2-yl)malonate

Chemical Property:

• PSA: 111.31000
• LogP: 1.72280
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 282.08518617
• Heavy Atom Count: 20
• Complexity: 349

Purity/Quality:

98%Min ^*data from raw suppliers

diethyl2-(5-nitropyridin-2-yl)malonate 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C1=NC=C(C=C1)[N+](=O)[O-])C(=O)OCC

Technology Process of Diethyl 2-(5-nitropyridin-2-yl)malonate

There total 5 articles about Diethyl 2-(5-nitropyridin-2-yl)malonate 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: 99.0%

2-bromo-5-nitropyridine (4487-59-6) + diethyl malonate (105-53-3) → 1,3-diethyl 2-(5-nitropyridin-2-yl)propanedioate (60891-70-5)

Guidance literature:

With 2-Picolinic acid; copper(l) iodide; caesium carbonate; In 1,4-dioxane; Reflux;

Reference yield: 87.0%

2-chloro-5-nitropyridine (4548-45-2) + diethyl malonate (105-53-3) → 1,3-diethyl 2-(5-nitropyridin-2-yl)propanedioate (60891-70-5)

Guidance literature:

diethyl malonate; With sodium hydride; In tetrahydrofuran; at 20 ℃;

2-chloro-5-nitropyridine; In tetrahydrofuran; at 20 ℃; for 24h;

Reference yield:

5-nitro-2-hydroxypyridine (5418-51-9) → 1,3-diethyl 2-(5-nitropyridin-2-yl)propanedioate (60891-70-5)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate; phosphorus pentachloride / 16 h / 60 °C

2: potassium carbonate / N,N-dimethyl-formamide / 16 h / 70 °C

With phosphorus pentachloride; potassium carbonate; trichlorophosphate; In N,N-dimethyl-formamide;

upstream raw materials:

2-chloro-5-nitropyridine

sodium diethylmalonate

diethyl malonate

5-nitro-2-hydroxypyridine

Downstream raw materials:

2-methyl-5-nitropyridine

5-nitro-2-pyridinecarbaldehyde

N-(5-nitropyridin-2-ylmethyl)-N-pyridin-2-ylmethylbenzamide

N-(5-aminopyridin-2-ylmethyl)-N-pyridin-2-ylmethylbenzamide

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