Ethanone, 1-(4-pyridinyl)-, oxime

Base Information

• Chemical Name: Ethanone, 1-(4-pyridinyl)-, oxime
• CAS No.: 1194-99-6
• Molecular Formula: C7H8N2O
• Molecular Weight: 136.153
• European Community (EC) Number: 651-826-9
• DSSTox Substance ID: DTXSID20922952
• Mol file: 1194-99-6.mol

Synonyms:4-Acetylpyridine oxime;1194-99-6;Ethanone, 1-(4-pyridinyl)-, oxime;1-Pyridin-4-yl-ethanone oxime;MFCD00180593;(1E)-1-(4-pyridinyl)ethanone oxime;N-[1-(pyridin-4-yl)ethylidene]hydroxylamine;1-(4-pyridinyl)ethanone oxime;DTXSID20922952;OZJWWTXSMXGPMI-UHFFFAOYSA-N;AKOS017263782;N-(1-pyridin-4-ylethylidene)hydroxylamine;FT-0651860

Chemical Property of Ethanone, 1-(4-pyridinyl)-, oxime

Chemical Property:

• Appearance/Colour: light yellow to dark yellow liquid
• Vapor Pressure: 0.226mmHg at 25°C
• Melting Point: 156-157 °C
• Refractive Index: 1.55
• Boiling Point: 277.128 °C at 760mmHg
• PKA: 10.39±0.20(Predicted)
• Flash Point: 121.403 °C
• PSA: 45.48000
• Density: 1.11 g/cm³
• LogP: 1.27980
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 136.063662883
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

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

(1E)-1-Pyridin-4-ylethanoneOxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NO)C1=CC=NC=C1

Technology Process of Ethanone, 1-(4-pyridinyl)-, oxime

There total 6 articles about Ethanone, 1-(4-pyridinyl)-, 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: 87.0%

methyl (4-pyridyl) ketone (1122-54-9) → 4-acetylpyridine oxime (1194-99-6)

Guidance literature:

With hydroxylamine;

DOI:10.1135/cccc20000227

Reference yield:

methyl (4-pyridyl) ketone (1122-54-9) → sodium chloride + 4-acetylpyridine oxime (1194-99-6)

Guidance literature:

With hydroxylamine hydrochloride; sodium methylate; In methanol;

Reference yield:

→ 4-acetylpyridine oxime (1194-99-6)

Guidance literature:

With hydroxylamine hydrochloride; potassium carbonate;

upstream raw materials:

methyl (4-pyridyl) ketone

Downstream raw materials:

1-(pyridin-4-yl)ethanone O-acetyl oxime

4-(5-(4-methoxyphenyl)-1H-pyrrol-3-yl)pyridine

7-ethyl-4-methyl-6-phenyl-1,5-naphthyridine

C₁₇H₁₆N₂

Refernces

• 1、 Upare, Atul,Chouhan, Neeraj Kumar,Ramaraju, Andhavaram,Sridhar, Balasubramanian,Bathula, Surendar Reddy. "Access to pyrrolo[2,1-: A] isoindolediones from oxime acetates and ninhydrin via Cu(i)-mediated domino annulations". supporting information. p. 1743 - 1746. Retrieved 2020/03/17.
• 2、 -. "Compound containing fluorochloropyridine oxime ester structure, preparation method and application thereof and herbicide". Paragraph 0057-0059. . Retrieved 2019/04/06.