(1E)-Oxo(4-pyridinyl)ethanal oxime

Base Information

• Chemical Name: (1E)-Oxo(4-pyridinyl)ethanal oxime
• CAS No.: 90036-10-5
• Molecular Formula: C7H6N2O2
• Molecular Weight: 150.1347
• DSSTox Substance ID: DTXSID90423244
• Mol file: 90036-10-5.mol

Synonyms:NSC87277;SCHEMBL4828445;DTXSID90423244;AJMZEKZSNIRQIF-WEVVVXLNSA-N;90036-10-5;(1E)-Oxo(4-pyridinyl)ethanal oxime #

Chemical Property of (1E)-Oxo(4-pyridinyl)ethanal oxime

Chemical Property:

• Vapor Pressure: 2.44E-05mmHg at 25°C
• Boiling Point: 344.8°Cat760mmHg
• Flash Point: 162.4°C
• Density: 1.24g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 150.042927438
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1C(=O)C=NO
• Isomeric SMILES: C1=CN=CC=C1C(=O)/C=N/O

Technology Process of (1E)-Oxo(4-pyridinyl)ethanal oxime

There total 1 articles about (1E)-Oxo(4-pyridinyl)ethanal oxime 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%

methyl (4-pyridyl) ketone (1122-54-9) → 2-oxo-2-(pyridin-4-yl)acetaldehyde oxime (90036-10-5)

Guidance literature:

methyl (4-pyridyl) ketone; With sodium ethanolate; In ethanol; at -5 ℃; for 0.25h;

With tert.-butylnitrite; In ethanol; at 0 - 10 ℃; for 24h;

DOI:10.1016/j.ejmech.2018.01.060

Reference yield: 26.7%

2-oxo-2-(pyridin-4-yl)acetaldehyde oxime (90036-10-5) + 2-(allyloxy)-5-formylbenzonitrile → C18H14N4O2

Guidance literature:

With ammonium acetate; In methanol; for 24h; Reflux; Inert atmosphere;

DOI:10.1016/j.ejmech.2018.01.060

Reference yield: 24.6%

2-oxo-2-(pyridin-4-yl)acetaldehyde oxime (90036-10-5) + 2-iso-butoxy-5-formylbenzonitrile (1562039-91-1) → C19H18N4O2

Guidance literature:

With ammonium acetate; In methanol; for 24h; Reflux; Inert atmosphere;

DOI:10.1016/j.ejmech.2018.01.060

upstream raw materials:

methyl (4-pyridyl) ketone

Refernces