2,3-difluoro-4-formylbenzonitrile

Base Information

• Chemical Name: 2,3-difluoro-4-formylbenzonitrile
• CAS No.: 717883-41-5
• Molecular Formula: C8H3F2NO
• Molecular Weight: 167.115
• Hs Code.: 2926907090
• Mol file: 717883-41-5.mol

Synonyms:2,3-difluoro-4-formylbenzonitrile;Benzonitrile,2,3-difluoro-4-formyl-

Chemical Property of 2,3-difluoro-4-formylbenzonitrile

Chemical Property:

• Melting Point: 52-53 °C
• Boiling Point: 273.1±40.0 °C(Predicted)
• PSA: 40.86000
• Density: 1.35±0.1 g/cm3(Predicted)
• LogP: 1.64898

Purity/Quality:

99% ^*data from raw suppliers

2,3-Difluoro-4-formylbenzonitrile 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2,3-difluoro-4-formylbenzonitrile

There total 3 articles about 2,3-difluoro-4-formylbenzonitrile 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: 35.0%

2,3-difluorobenzonitrile (21524-39-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,3-difluoro-4-formylbenzonitrile (717883-41-5)

Guidance literature:

2,3-difluorobenzonitrile; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 ℃; for 0.75h;

DOI:10.1039/b402515f

Reference yield: 22.0%

C8H4BrF2N → 2,3-difluoro-4-formylbenzonitrile (717883-41-5)

Guidance literature:

With 4-methylmorpholine N-oxide; In acetonitrile; at 20 ℃;

Reference yield:

2,3-difluoro-4-methylbenzonitrile (508203-48-3) → 2,3-difluoro-4-formylbenzonitrile (717883-41-5)

Guidance literature:

Multi-step reaction with 2 steps

1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 100 °C

2: 4-methylmorpholine N-oxide / acetonitrile / 20 °C

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); 4-methylmorpholine N-oxide; In tetrachloromethane; acetonitrile;

upstream raw materials:

2,3-difluorobenzonitrile

N,N-dimethyl-formamide

2,3-difluoro-4-methylbenzonitrile

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.