4-Pyridinealdoxime

Base Information

• Chemical Name: 4-Pyridinealdoxime
• CAS No.: 696-54-8
• Molecular Formula: C6H6 N2 O
• Molecular Weight: 122.126
• Hs Code.: 29333999
• European Community (EC) Number: 211-796-6
• Wikidata: Q106902965
• Mol file: 696-54-8.mol

Synonyms:pyridine-4-aldoxime;pyridine-4-aldoxime, (Z)-isomer

Chemical Property of 4-Pyridinealdoxime

Chemical Property:

• Appearance/Colour: fine crystalline powder
• Vapor Pressure: 0.032mmHg at 25°C
• Melting Point: 130-134 ºC
• Refractive Index: 1.5350 (estimate)
• Boiling Point: 195.6 °C at 760 mmHg
• PKA: pK1:4.73(+1);pK2:10.03(0) (25°C)
• Flash Point: 72.1 °C
• PSA: 45.48000
• Density: 1.14 g/cm3
• LogP: 0.88970
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: 10g/l
• Water Solubility.: 10 g/L (20 ºC)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 122.048012819
• Heavy Atom Count: 9
• Complexity: 97.2

Purity/Quality:

99% ^*data from raw suppliers

4-Pyridinealdoxime ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/22-36/37/38-20/21/22
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1C=NO
• Uses: An intermediate for bis(hydroxyiminomethylpyridinium)butenes as reactivators of chlorpyrifos-inhibited acetylcholinesterase. It is employed as an intermediate for bis(hydroxyiminomethylpyridinium)butenes and as reactivators of chlorpyrifos-inhibited acetylcholinesterase. It is also used in the chromatographic separation and NMR characterization of the isomers of 1,1?-Methylenebis{4-[(hydroxyimino)methyl]pyridinium) dichloride.

Technology Process of 4-Pyridinealdoxime

There total 13 articles about 4-Pyridinealdoxime 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%

pyridine-4-carbaldehyde (872-85-5) → pyridine-4-aldoxime (696-54-8)

Guidance literature:

With hydroxylamine hydrochloride;

DOI:10.1039/b305268k

Reference yield: 97.17%

pyridine-4-carbaldehyde (872-85-5) + hydroxylamine hydrochloride (5470-11-1) → pyridine-4-aldoxime (696-54-8)

Guidance literature:

With sodium hydroxide; In water; at 50 ℃; for 12h; pH=6 - 7;

DOI:10.1039/c4ra14696d

Reference yield: 82.0%

4-(aminomethyl)pyridine (3731-53-1) → pyridine-4-aldoxime (696-54-8)

Guidance literature:

With Acetaldehyde oxime; oxygen; 1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione; In water; at 100 ℃; for 42h; Green chemistry;

DOI:10.1055/s-0033-1338646

upstream raw materials:

picoline

pyridine-4-carbaldehyde

3-pyridinecarbaldehyde 1-oxide oxime

trimedoxime dibromide

Downstream raw materials:

isonicotinamide

N-dodecyl-4-(hydroxyiminomethyl)pyridinium bromide

N-dodecyl-4-(hydroxyiminomethyl)pyridinium bromide

4-ethoxycarbonyl-5-methyl-3-pyridin-4-yl-isoxazole

Refernces

• 1、 Pooja,Aggarwal,Tiwari,Kumar,Pratap,Singh,Mishra. "Novel pyridinium oximes: Synthesis, molecular docking and in vitro reactivation studies". . p. 23471 - 23480. Retrieved 2015.
• 2、 Cavalcante, Samir F. de A.,Kitagawa, Daniel A.S.,Rodrigues, Rafael B.,Bernardo, Leandro B.,da Silva, Thiago N.,dos Santos, Wellington V.,Correa, Ana Beatriz de A.,de Almeida, Joyce S.F.D.,Fran?a, Tanos C.C.,Ku?a, Kamil,Simas, Alessandro B.C.. "Synthesis and in vitro evaluation of neutral aryloximes as reactivators of Electrophorus eel acetylcholinesterase inhibited by NEMP, a VX surrogate". . . Retrieved 2019/06/24.