Phenyl 2-pyridyl ketone oxime

Base Information

• Chemical Name: Phenyl 2-pyridyl ketone oxime
• CAS No.: 1826-28-4
• Molecular Formula: C12H10N2O
• Molecular Weight: 198.224
• Hs Code.: 29333990
• European Community (EC) Number: 217-374-8
• DSSTox Substance ID: DTXSID5062003
• Mol file: 1826-28-4.mol

Synonyms:phenyl 2-pyridyl ketone oxime;PPKO oxime

Chemical Property of Phenyl 2-pyridyl ketone oxime

Chemical Property:

• Appearance/Colour: Slightly pinl crystalline powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 154-156 °C(lit.)
• Refractive Index: 1.596
• Boiling Point: 364.703 °C at 760 mmHg
• Flash Point: 174.366 °C
• PSA: 45.48000
• Density: 1.13 g/cm³
• LogP: 2.30820
• Storage Temp.: Store below +30°C.
• Water Solubility.: insoluble
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 198.079312947
• Heavy Atom Count: 15
• Complexity: 222

Purity/Quality:

99.5% ^*data from raw suppliers

Phenyl 2-pyridyl ketoxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: T,Xi
• Statements: 25-37/38-41-36/37/38
• Safety Statements: 26-36/37/39-45-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Oximes
• Canonical SMILES: C1=CC=C(C=C1)C(=NO)C2=CC=CC=N2
• Uses: Phenyl 2-pyridyl ketoxime was used in preparation of inverse-9-metallacrown-3, trinuclear clusters.

Technology Process of Phenyl 2-pyridyl ketone oxime

There total 1 articles about Phenyl 2-pyridyl ketone 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: 91.0%

phenyl(pyridin-2-yl)methanone (91-02-1) → phenyl-2-pyridyl ketoxime (1826-28-4)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In ethanol; water; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1002/ejic.201000039

Reference yield: 96.8%

phenyl-2-pyridyl ketoxime (1826-28-4) → 1-phenyl-1-(pyridin-2-yl)methanamine (39930-11-5)

Guidance literature:

With acetic acid; zinc; In ethanol; for 26h; Cooling with ice;

DOI:10.1016/j.ica.2012.04.017

Reference yield: 96.0%

phenyl-2-pyridyl ketoxime (1826-28-4) → 1-phenyl-1-(pyridin-2-yl)methanamine hydrochloride

Guidance literature:

phenyl-2-pyridyl ketoxime; With hydrogen; In tetrahydrofuran; methanol; at 50 ℃; for 16h; under 3102.97 Torr;

With hydrogenchloride; In diethyl ether; tert-butyl methyl ether;

DOI:10.1055/s-0034-1379538

upstream raw materials:

phenyl(pyridin-2-yl)methanone

Downstream raw materials:

Os3H(CO)11(η(2)-ON=CPh(NC5H4)2)

Os3(CO)8(μ-η(3)-ON=CPh(NC5H4))2

Os3(μ-H)(CO)9(μ-η(3)-ON=CPh(NC5H4))

[(1,4,7-trimethyl-1,4,7-triazacyclononane)Ni(PyA-Ph)3Ni]ClO₄

Refernces

• 1、 Zhang, Jun,She, Mengyao,Liu, Lang,Liu, Mengdi,Wang, Zhaohui,Liu, Hua,Sun, Wei,Liu, Xiaogang,Liu, Ping,Zhang, Shengyong,Li, Jianli. "Construction and regulation of imidazo[1,5-a]pyridines with AIE characteristics via iodine mediated Csp2?H or Csp?H amination". supporting information. p. 3083 - 3086. Retrieved 2021/06/28.
• 2、 Baucom, Kyle D.,Guram, Anil S.,Borths, Christopher J.. "Effective conversion of heteroaromatic ketones into primary amines via hydrogenation of intermediate ketoximes". supporting information. p. 201 - 204. Retrieved 2015/03/03.