Benzaldehyde, pentafluoro-, oxime

Base Information

• Chemical Name: Benzaldehyde, pentafluoro-, oxime
• CAS No.: 27318-28-1
• Molecular Formula: C7H2F5NO
• Molecular Weight: 211.091
• DSSTox Substance ID: DTXSID60365602
• Mol file: 27318-28-1.mol

Synonyms:Benzaldehyde, pentafluoro-, oxime;27318-28-1;N-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydroxylamine;penta-fluorophenyl nitrone;SCHEMBL8043433;DTXSID60365602;AKOS016868716

Chemical Property of Benzaldehyde, pentafluoro-, oxime

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 211.00565450
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=NO)C1=C(C(=C(C(=C1F)F)F)F)F

Technology Process of Benzaldehyde, pentafluoro-, oxime

There total 3 articles about Benzaldehyde, pentafluoro-, 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: 97.0%

perfluorobenzaldehyde (653-37-2) → 2,3,4,5,6-pentafluorobenzaldehyde oxime (27318-28-1)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In methanol; water; for 19h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.inorgchem.8b00126

Reference yield:

bromopentafluorobenzene (344-04-7) → 2,3,4,5,6-pentafluorobenzaldehyde oxime (27318-28-1)

Guidance literature:

Multi-step reaction with 2 steps

1: magnesium / diethyl ether

2: hydroxylamine hydrochloride; sodium hydroxide / ethanol; water / 0.25 h / Reflux

With hydroxylamine hydrochloride; magnesium; sodium hydroxide; In diethyl ether; ethanol; water;

DOI:10.1016/j.jfluchem.2011.05.028

Reference yield:

→ 2,3,4,5,6-pentafluorobenzaldehyde oxime (27318-28-1)

Guidance literature:

Iminoxy-Radikal: aus dem Oxim mit Cer(IV)-sulfat / wss. Acn. (angesaeuert);

DOI:10.1039/j29660000722

upstream raw materials:

perfluorobenzaldehyde

bromopentafluorobenzene

Downstream raw materials:

C₇HF₅NO

C₇HF₅NO

Pentafluorobenzonitrile

3-(Pentafluorphenyl)-5-phenylisoxazolin

Refernces

• 1、 -. "Triazole alcohol derivative as well as preparation method and application thereof". Paragraph 0223-0224. . Retrieved 2020/03/11.
• 2、 Gundoju, Narayanarao,Bokam, Ramesh,Yalavarthi, Nageswara Rao,Azad, Rajaram,Ponnapalli, Mangala Gowri. "Betulinic acid derivatives: a new class of α-glucosidase inhibitors and LPS-stimulated nitric oxide production inhibition on mouse macrophage RAW 264.7 cells". supporting information. p. 2618 - 2622. Retrieved 2018/04/30.