2-(Pyridin-2-yl)malonaldehyde

Base Information

• Chemical Name: 2-(Pyridin-2-yl)malonaldehyde
• CAS No.: 212755-83-4
• Molecular Formula: C8H7NO2
• Molecular Weight: 149.15
• Hs Code.: 2933399090
• European Community (EC) Number: 674-212-2
• DSSTox Substance ID: DTXSID60371940
• Wikidata: Q82159494
• Mol file: 212755-83-4.mol

Synonyms:2-(Pyridin-2-yl)malonaldehyde;212755-83-4;2-(2-Pyridyl)malondialdehyde;2-pyridin-2-ylpropanedial;2-(pyridin-2-yl)propanedial;Propanedial, 2-pyridinyl-;SCHEMBL225565;2-(2-pyridyl)-malondialdehyde;2-(pyridin-2-yl)malondialdehyde;DTXSID60371940;ZQMMLUFYTCOQTB-UHFFFAOYSA-N;MFCD00216529;AKOS006220962;PS-6266;SB52361;CS-0119959;FT-0676477;W18671;A879172

Chemical Property of 2-(Pyridin-2-yl)malonaldehyde

Chemical Property:

• Vapor Pressure: 0.00125mmHg at 25°C
• Melting Point: 202-205°C
• Refractive Index: 1.5320 (estimate)
• Boiling Point: 298.7°C at 760 mmHg
• PKA: -0.22±0.10(Predicted)
• Flash Point: 142.4°C
• PSA: 47.03000
• Density: 1.187g/cm³
• LogP: 0.56300
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 149.047678466
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(2-Pyridyl)malondialdehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C(C=O)C=O

Technology Process of 2-(Pyridin-2-yl)malonaldehyde

There total 3 articles about 2-(Pyridin-2-yl)malonaldehyde 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: 34.2%

2-(pyridin-2-yl)propane-1,3-diol (49745-42-8) → 2-(pyridin-2-yl)malondialdehyde (212755-83-4)

Guidance literature:

With sulfur trioxide pyridine complex; triethylamine; In dichloromethane; dimethyl sulfoxide; at 0 ℃; for 1.5h;

DOI:10.1021/op500030v

Reference yield: 22.0%

formic acid (64-18-6) + 3-oxo-2-(pyridin-2-yl)propane nitrile (62591-21-3) → 2-(pyridin-2-yl)malondialdehyde (212755-83-4)

Guidance literature:

With nickel-aluminum alloy; for 2h; Reflux;

DOI:10.1021/op500030v

Reference yield:

2-pyridineacetic acid (13115-43-0) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → 2-(pyridin-2-yl)malondialdehyde (212755-83-4)

Guidance literature:

With trichlorophosphate; at 20 - 60 ℃;

DOI:10.1021/op500030v

upstream raw materials:

2-pyridineacetic acid

N,N-dimethyl-formamide dimethyl acetal

2-(pyridin-2-yl)propane-1,3-diol

formic acid

Downstream raw materials:

2-(1-(2-fluoro-4-nitrophenyl)-1H-pyrazole-4-yl)pyridine

Refernces