4-CYANO-3,5-DIFLUORO BENZALDEHYDE

Base Information

• Chemical Name: 4-CYANO-3,5-DIFLUORO BENZALDEHYDE
• CAS No.: 433939-88-9
• Molecular Formula: C8H3F2NO
• Molecular Weight: 167.115
• Hs Code.: 2926909090
• Mol file: 433939-88-9.mol

Synonyms:2,6-Difluoro-4-formylbenzonitrile;

Chemical Property of 4-CYANO-3,5-DIFLUORO BENZALDEHYDE

Chemical Property:

• Appearance/Colour: Light yellow cryst.
• Vapor Pressure: 0.01mmHg at 25°C
• Melting Point: 48-50 °C
• Refractive Index: 1.505
• Boiling Point: 263.13 °C at 760 mmHg
• Flash Point: 112.937 °C
• PSA: 40.86000
• Density: 1.357 g/cm³
• LogP: 1.64898
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

2,6-difluoro-4-formylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-CYANO-3,5-DIFLUORO BENZALDEHYDE

There total 5 articles about 4-CYANO-3,5-DIFLUORO BENZALDEHYDE 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: 98.0%

2,6-difluoro-4-[(methylsulfinyl)(methylthio)methyl]benzonitrile (479621-01-7) → 2,6-difluoro-4-formylbenzonitrile (433939-88-9)

Guidance literature:

2,6-difluoro-4-[(methylsulfinyl)(methylthio)methyl]benzonitrile; With sulfuric acid; In tetrahydrofuran; at 20 ℃; for 72h;

With water; In tetrahydrofuran;

Reference yield:

N-Formylpiperidine (2591-86-8) + 4-bromo-2,6-difluorobenzonitrile (123843-67-4) → 2,6-difluoro-4-formylbenzonitrile (433939-88-9)

Guidance literature:

4-bromo-2,6-difluorobenzonitrile; With isopropylmagnesium chloride; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;

N-Formylpiperidine; In tetrahydrofuran; at 0 ℃; for 1h;

Reference yield:

4-[1,3]dioxolan-2-yl-2,6-difluoro-benzonitrile (717883-47-1) → 2,6-difluoro-4-formylbenzonitrile (433939-88-9)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; for 6h; Heating;

DOI:10.1039/b402515f

upstream raw materials:

4-[1,3]dioxolan-2-yl-2,6-difluoro-benzonitrile

3,5-difluorobenzaldehyde

2-(3,5-difluorophenyl)-1,3-dioxolane

2,6-difluoro-4-[(methylsulfinyl)(methylthio)methyl]benzonitrile

Downstream raw materials:

2,6-difluoro-4-(hydroxymethyl)benzonitrile

Refernces

• 1、 Olsen, Jacob,Seiler, Paul,Wagner, Bjoern,Fischer, Holger,Tschopp, Thomas,Obst-Sander, Ulrike,Banner, David W.,Kansy, Manfred,Mueller, Klaus,Diederich, Francois. "A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: Effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions". . p. 1339 - 1352. Retrieved 2007/10/03.