N-[1-(Difluoronitromethyl)-2,2,2-trifluoroethylidene]benzamide

Base Information

• Chemical Name: N-[1-(Difluoronitromethyl)-2,2,2-trifluoroethylidene]benzamide
• CAS No.: 19846-31-2
• Molecular Formula: C₁₀H₅F₅N₂O₃
• Molecular Weight: 296.153
• DSSTox Substance ID: DTXSID601177052

Synonyms:DTXSID601177052;N-[1-(Difluoronitromethyl)-2,2,2-trifluoroethylidene]benzamide;19846-31-2

Chemical Property of N-[1-(Difluoronitromethyl)-2,2,2-trifluoroethylidene]benzamide

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 296.02203284
• Heavy Atom Count: 20
• Complexity: 422

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)N=C(C([N+](=O)[O-])(F)F)C(F)(F)F

Technology Process of N-[1-(Difluoronitromethyl)-2,2,2-trifluoroethylidene]benzamide

There total 1 articles about N-[1-(Difluoronitromethyl)-2,2,2-trifluoroethylidene]benzamide 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:

2,2'-Bis(benzoylamino)-nitropentafluorpropan (19846-28-7) → N-(2,2-difluoro-2-nitro-1-trifluoromethyl-ethylidene)-benzamide (19846-31-2)

Guidance literature:

Reference yield:

N-(2,2-difluoro-2-nitro-1-trifluoromethyl-ethylidene)-benzamide (19846-31-2) → N-(2-Hydroxy-β,β,β,β,β-pentafluor-β-nitro-isopropyl)-benzamid (19846-59-4)

Guidance literature:

With water; In diethyl ether;

Reference yield:

N-(2,2-difluoro-2-nitro-1-trifluoromethyl-ethylidene)-benzamide (19846-31-2) + 4-dimethylamino-benzaldehyde (100-10-7) → 4-[4-(difluoro-nitro-methyl)-6-phenyl-4-trifluoromethyl-4H-[1,3,5]dioxazin-2-yl]-N,N-dimethyl-aniline (71997-75-6)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

DOI:10.1007/BF00950995

upstream raw materials:

2,2'-Bis(benzoylamino)-nitropentafluorpropan

Downstream raw materials:

2-Benzoylamino-1,1,3,3,3-pentafluor-2-methoxy-1-nitro-propan

4-(difluoro-nitro-methyl)-2-phenyl-4-trifluoromethyl-4,5-dihydro-[1,3]oxazin-6-one

cyclohexyl-[4-(difluoro-nitro-methyl)-2-phenyl-4-trifluoromethyl-4H-oxazol-5-ylidene]-amine

N-(2-Hydroxy-β,β,β,β,β-pentafluor-β-nitro-isopropyl)-benzamid

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