(4-Fluorophenyl)carbonohydrazonoyl dicyanide

Base Information

• Chemical Name: (4-Fluorophenyl)carbonohydrazonoyl dicyanide
• CAS No.: 94853-74-4
• Molecular Formula: C9H5FN4
• Molecular Weight: 188.164
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID40356790
• Mol file: 94853-74-4.mol

Synonyms:94853-74-4;(4-Fluorophenyl)carbonohydrazonoyl dicyanide;(Aza((4-fluorophenyl)amino)methylene)methane-1,1-dicarbonitrile;2-[(4-fluorophenyl)hydrazinylidene]propanedinitrile;1-cyano-N-(4-fluorophenyl)methanecarbohydrazonoyl cyanide;2-[(4-fluorophenyl)hydrazono]malononitrile;(Aza((4-fluorophenyl)amino)methylene)-methane-1,1-dicarbonitrile;2-[2-(4-fluorophenyl)hydrazono]malononitrile;SCHEMBL2241345;DTXSID40356790;MFCD00170788;STK015897;AKOS000489095;MS-6610;CS-0316812;N-(4-fluorophenyl)carbonohydrazonoyl dicyanide;2-[(4-Fluoro-phenyl)-hydrazono]-malononitrile;AN-329/40403541;[2-(4-fluorophenyl)hydrazinylidene]propanedinitrile;Z55334283

Chemical Property of (4-Fluorophenyl)carbonohydrazonoyl dicyanide

Chemical Property:

• PSA: 71.97000
• LogP: 1.71376
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 188.04982434
• Heavy Atom Count: 14
• Complexity: 292

Purity/Quality:

99%min ^*data from raw suppliers

2-[2-(4-Fluorophenyl)hydrazono]malononitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NN=C(C#N)C#N)F

Technology Process of (4-Fluorophenyl)carbonohydrazonoyl dicyanide

There total 3 articles about (4-Fluorophenyl)carbonohydrazonoyl dicyanide 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: 99.0%

4-fluoroaniline (371-40-4) + malononitrile (109-77-3) → N-(4-fluorophenyl)carbonohydrazonoyl dicyanide (94853-74-4)

Guidance literature:

With tert.-butylnitrite; In acetonitrile; at 20 ℃; Flow reactor;

DOI:10.1002/chem.201402074

Reference yield: 94.0%

4-fluorobenzenediazonium tetrafluoroborate (459-45-0) + malononitrile (109-77-3) → N-(4-fluorophenyl)carbonohydrazonoyl dicyanide (94853-74-4)

Guidance literature:

With sodium acetate; silica gel; In neat (no solvent); at 20 ℃; for 0.333333h; Milling;

DOI:10.2174/1570178611999140404111411

Reference yield:

→ N-(4-fluorophenyl)carbonohydrazonoyl dicyanide (94853-74-4)

Guidance literature:

With hydrogenchloride; NaNO₂; In water monomer; at 0 - 20 ℃; for 0.5h;

With anhydrous Sodium acetate; In water monomer; at 0 ℃; for 1h;

upstream raw materials:

4-fluoroaniline

malononitrile

4-fluorobenzenediazonium tetrafluoroborate

Downstream raw materials:

C₉H₉FN₆

Refernces

• 1、 -. "COMPOUNDS HAVING PSEUDOMONAS ANTI-BIOFILM PROPERTIES". Page/Page column 27; 24. . Retrieved 2022/03/09.
• 2、 Alvarez, Karine,Busca, Patricia,Calvez, Vincent,Delelis, Olivier,Fichez, Jeanne,Gizzi, Patrick,Gravier-Pelletier, Christine,Le Corre, Laurent,Prestat, Guillaume,Sayon, Sophie,Soulie, Cathia,Marcelin, Anne-Geneviève,Priet, Stéphane. "Discovery, SAR study and ADME properties of methyl 4-amino-3-cyano-1-(2-benzyloxyphenyl)-1H-pyrazole-5-carboxylate as an HIV-1 replication inhibitor". . p. 577 - 582. Retrieved 2020/06/04.