1-(Difluoromethyl)-4-nitrobenzene

Base Information

• Chemical Name: 1-(Difluoromethyl)-4-nitrobenzene
• CAS No.: 29848-57-5
• Molecular Formula: C7H5F2NO2
• Molecular Weight: 173.119
• Hs Code.: 2904909090
• Mol file: 29848-57-5.mol

Synonyms:Benzene, 1-(difluoromethyl)-4-nitro-;

Chemical Property of 1-(Difluoromethyl)-4-nitrobenzene

Chemical Property:

• Melting Point: 33-35 °C
• Refractive Index: 1.5075
• Boiling Point: 240.7 °C at 760 mmHg
• Flash Point: 111.9 °C
• PSA: 45.82000
• Density: 1.339 g/cm³
• LogP: 3.05560
• Storage Temp.: 2-8°C

Purity/Quality:

98%, ^*data from raw suppliers

p-Nitrobenzal Difluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: p-Nitrobenzal Difluoride is a reagent used in the preparation of fluorine-18-labeled fluoxetine as a potential radiotracer for reuptake sites.

Technology Process of 1-(Difluoromethyl)-4-nitrobenzene

There total 34 articles about 1-(Difluoromethyl)-4-nitrobenzene 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: 89.0%

4-nitrobenzaldehdye (555-16-8) → 4-(difluoromethyl)nitrobenzene (29848-57-5)

Guidance literature:

4-nitrobenzaldehdye; With Nonafluorobutanesulfonyl fluoride; tetramethylammonium fluoride; In tetrahydrofuran; at 20 ℃; for 0.00833333h; Inert atmosphere; Glovebox;

In tetrahydrofuran; at 20 ℃; for 24h; Reagent/catalyst; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1002/ijch.201900066

Reference yield: 83.0%

difluoromethyl copper + 4-nitro-aniline (100-01-6,104810-17-5) → 4-(difluoromethyl)nitrobenzene (29848-57-5)

Guidance literature:

4-nitro-aniline; With tetrafluoroboric acid; tert.-butylnitrite; In ethanol; water; at 0 - 20 ℃; for 1h; Inert atmosphere;

difluoromethyl copper; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ol5030037

Reference yield: 80.0%

4-nitrobenzaldehyde hydrazone (6310-10-7) → 4-(difluoromethyl)nitrobenzene (29848-57-5)

Guidance literature:

With iodine monofluoride; In chloroform; at -78 ℃; for 0.5h;

DOI:10.1021/jo00015a024

upstream raw materials:

4-nitrobenzaldehdye

4-nitrobenzaldehyde hydrazone

4-nitrobenzaldehyde semicarbazone

2-(4-nitrophenyl)-1,3-dithiolane

Refernces

• 1、 Ferguson, Devin M.,Melvin, Patrick R.,Sanford, Melanie S.. "Deoxyfluorination of (Hetero)aryl Aldehydes Using Tetramethylammonium Fluoride and Perfluorobutanesulfonyl Fluoride or Trifluoromethanesulfonic Anhydride". . p. 398 - 401. Retrieved 2019/09/06.
• 2、 Khatri, Hari R.,Han, Changho,Luong, Erica,Pan, Xiaoliang,Adam, Amna T.,Alshammari, Maali D.,Shao, Yihan,Colby, David A.. "Controlling the cleavage of carbon-carbon bonds to generate α,α-difluorobenzyl carbanions for the construction of difluoromethylbenzenes". . p. 11665 - 11675. Retrieved 2019/10/02.