Nicotinaldehyde oxime

Base Information

• Chemical Name: Nicotinaldehyde oxime
• CAS No.: 1193-92-6
• Molecular Formula: C6H6 N2 O
• Molecular Weight: 122.126
• Hs Code.: 29333999
• European Community (EC) Number: 214-782-8
• NSC Number: 66485
• UNII: N53V9GSS65
• Metabolomics Workbench ID: 70619
• ChEMBL ID: CHEMBL3632666
• Mol file: 1193-92-6.mol

Synonyms:3-pyridine-aldoxime;3-pyridinecarboxaldehyde oxime

Chemical Property of Nicotinaldehyde oxime

Chemical Property:

• Appearance/Colour: white fine crystalline powder
• Vapor Pressure: 0.0315mmHg at 25°C
• Melting Point: 150-153 °C(lit.)
• Refractive Index: 1.5350 (estimate)
• Boiling Point: 233.1°Cat760mmHg
• PKA: pK1:4.07(+1);pK2:10.39(0) (25°C)
• Flash Point: 94.8°C
• PSA: 45.48000
• Density: 1.14g/cm³
• LogP: 0.88970
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 122.048012819
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

97% ^*data from raw suppliers

3-Pyridinealdoxime ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Nicotinaldehyde oxime

There total 8 articles about Nicotinaldehyde 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: 100.0%

3-pyridinecarboxaldehyde (500-22-1) → 3-pyridinealdoxime (1193-92-6)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol; for 0.416667h; Heating;

DOI:10.1021/jm060519r

Reference yield: 93.44%

3-Methylpyridine (108-99-6) → 3-pyridinealdoxime (1193-92-6)

Guidance literature:

3-Methylpyridine; With nitrosylchloride; In ethanol; at 15 - 18 ℃; for 4.5h; Irradiation;

In ethanol; for 0.9h; Time; Inert atmosphere;

Reference yield: 88.0%

3-pyridinecarboxaldehyde (500-22-1) + hydroxylamine hydrochloride (5470-11-1) → 3-pyridinealdoxime (1193-92-6)

Guidance literature:

With potassium carbonate; In methanol;

upstream raw materials:

3-pyridinecarboxaldehyde

hydroxylamine hydrochloride

3-Methylpyridine

Downstream raw materials:

pyridine-3-carbonitrile

3-Pyridinecarbaldehyde oxime O-methyl ether

toluene-4-sulfonamide

nicotinamide