Propenal O-pentafluorophenylmethyl-oxime

Base Information

• Chemical Name: Propenal O-pentafluorophenylmethyl-oxime
• CAS No.: 932710-55-9
• Molecular Formula: C₁₀H₆F₅NO
• Molecular Weight: 251.156
• European Community (EC) Number: 635-490-0
• Mol file: 932710-55-9.mol

Synonyms:932710-55-9;Acrolein O-pentafluorophenylmethyl-oxime;Propenal O-pentafluorophenylmethyl-oxime;Acrolein O-2,3,4,5,6-PFBHA-oxime;(1E)-N-[(Pentafluorobenzyl)oxy]-2-propen-1-imine;2-Propenal, PFBO # 1;ICDUEGOPUWNJNF-HQYXKAPLSA-N;ICDUEGOPUWNJNF-UHFFFAOYSA-N;AKOS025295932;AKOS037653296;GS-8038;Acrylaldehyde O-((perfluorophenyl)methyl) oxime;ACROLEIN O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME;Acrolein O-pentafluorophenylmethyl-oxime, analytical standard;(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]prop-2-en-1-imine;[(2,3,4,5,6-pentafluorophenyl)methoxy](prop-2-en-1-ylidene)amine

Chemical Property of Propenal O-pentafluorophenylmethyl-oxime

Chemical Property:

• Vapor Pressure: 0.104mmHg at 25°C
• Refractive Index: 1.436
• Boiling Point: 229.6°C at 760 mmHg
• Flash Point: 92.6°C
• PSA: 21.59000
• Density: 1.32g/cm³
• LogP: 3.07050
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 251.03695463
• Heavy Atom Count: 17
• Complexity: 272

Purity/Quality:

ACROLEIN-O-PENTAFLUOROPHENYLMETHYL-OXIME 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC=NOCC1=C(C(=C(C(=C1F)F)F)F)F
• Isomeric SMILES: C=C/C=N/OCC1=C(C(=C(C(=C1F)F)F)F)F

Technology Process of Propenal O-pentafluorophenylmethyl-oxime

There total 2 articles about Propenal O-pentafluorophenylmethyl-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:

O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine hydrochloride (72915-12-9) + acrolein (107-02-8,25068-14-8) → propenal O-pentafluorophenylmethyl-oxime (932710-55-9)

Guidance literature:

In water; at 25 ℃; for 24h;

DOI:10.1021/je025545i

Reference yield:

2,3,4,5,6-pentafluorobenzyloxyamine hydrochloride (57981-02-9) + acrolein (107-02-8,25068-14-8) → propenal O-pentafluorophenylmethyl-oxime (932710-55-9)

Guidance literature:

With supernatant from homogenized peanut oil; at 37 ℃; for 1h;

DOI:10.1021/acs.jafc.6b03371

upstream raw materials:

O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine hydrochloride

acrolein

2,3,4,5,6-pentafluorobenzyloxyamine hydrochloride

Refernces

• 1、 Globisch, Martin,Deuber, Meike,Henle, Thomas. "Identification and Quantitation of the Lipation Product 2-Amino-6-(3-methylpyridin-1-ium-1-yl)hexanoic Acid (MP-Lysine) in Peanuts". . p. 6605 - 6612. Retrieved 2016.
• 2、 Beranek, Josef,Muggli, Darrin A.,Kubatova, Alena. "Detection Limits of Electron and Electron Capture Negative Ionization-Mass Spectrometry for Aldehydes Derivatized with o-(2,3,4,5,6-Pentafluorobenzyl)-Hydroxylamine Hydrochloride". experimental part. p. 592 - 602. Retrieved 2011/02/22.