3-Pyridineacetaldehyde, alpha-oxo-

Base Information

• Chemical Name: 3-Pyridineacetaldehyde, alpha-oxo-
• CAS No.: 63464-84-6
• Molecular Formula: C7H5NO2
• Molecular Weight: 135.122
• DSSTox Substance ID: DTXSID10437020
• Wikidata: Q82252375
• Mol file: 63464-84-6.mol

Synonyms:63464-84-6;3-PYRIDINEACETALDEHYDE, ALPHA-OXO-;2-oxo-2-pyridin-3-ylacetaldehyde;2-OXO-2-(PYRIDIN-3-YL)ACETALDEHYDE;3-Pyridylglyoxal;SCHEMBL2323169;DTXSID10437020;WWWQVIHKOJBDHJ-UHFFFAOYSA-N;AKOS017516242;AB62325

Chemical Property of 3-Pyridineacetaldehyde, alpha-oxo-

Chemical Property:

• Boiling Point: 230.1±22.0 °C(Predicted)
• PKA: 2.26±0.10(Predicted)
• PSA: 47.03000
• Density: 1.211±0.06 g/cm3(Predicted)
• LogP: 0.46320
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 135.032028402
• Heavy Atom Count: 10
• Complexity: 145

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Pyridineacetaldehyde, alpha-oxo-

There total 4 articles about 3-Pyridineacetaldehyde, alpha-oxo- 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: 87.0%

methyl-3-pyridylketone (350-03-8) → pyridine-3-ylglyoxal (63464-84-6)

Guidance literature:

With tris(2,2'-bipyridyl)ruthenium dichloride; dioxane dibromide; sodium L-ascorbate; In acetonitrile; at 20 ℃; for 8h; Irradiation; Green chemistry;

DOI:10.1016/j.tetlet.2017.01.013

Reference yield:

3-(Dibromoacetyl)pyridine hydrobromide (476468-54-9) + dimethyl sulfoxide (67-68-5,8070-53-9) → pyridine-3-ylglyoxal (63464-84-6)

Guidance literature:

3-(Dibromoacetyl)pyridine hydrobromide; dimethyl sulfoxide; at 33 - 36 ℃; for 4h;

With sodium carbonate; In dimethyl sulfoxide; at 20 ℃; for 48h; Product distribution / selectivity;

Reference yield:

3-(Dibromoacetyl)pyridine hydrobromide (476468-54-9) + dimethylsulfoxide-d6 (2206-27-1) → pyridine-3-ylglyoxal (63464-84-6)

Guidance literature:

at 35 - 40 ℃; for 4h; Product distribution / selectivity;

upstream raw materials:

3-(Dibromoacetyl)pyridine hydrobromide

dimethylsulfoxide-d6

dimethyl sulfoxide

methyl-3-pyridylketone

Downstream raw materials:

3-(1H-imidazol-4-yl)pyridine

nicotinic acid