1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]-

Base Information

• Chemical Name: 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]-
• CAS No.: 111795-45-0
• Molecular Formula: C13H7F5N2
• Molecular Weight: 286.204
• DSSTox Substance ID: DTXSID10389297
• Nikkaji Number: J2.276.947B,J646.114J
• Mol file: 111795-45-0.mol

Synonyms:111795-45-0;1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]-;DTXSID10389297;N-(2,3,4,5,6-Pentafluorobenzylidene)-1,2-phenylenediamine

Chemical Property of 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]-

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 286.05293904
• Heavy Atom Count: 20
• Complexity: 338

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N)N=CC2=C(C(=C(C(=C2F)F)F)F)F

Technology Process of 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]-

There total 2 articles about 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]- 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: 92.0%

perfluorobenzaldehyde (653-37-2) + 1,2-diamino-benzene (95-54-5) → N-[(pentafluorophenyl)methylene]-1,2-benzenediamine (111795-45-0)

Guidance literature:

In ethanol;

DOI:10.1021/ja00260a027

Reference yield:

W(NCC2H5)(CO)3NH2C6H4NCHC6F5 (111847-25-7,157183-45-4) → tricarbonyl-tris(acetonitrile)tungsten(0) (16800-47-8,30958-95-3) + N-[(pentafluorophenyl)methylene]-1,2-benzenediamine (111795-45-0)

Guidance literature:

With CH₃CN; In acetonitrile; dissoln. of W complex in MeCN;

DOI:10.1021/ja00260a027

Reference yield: 82.0%

tris(propionitrile)tungsten tricarbonyl (83732-33-6,84580-21-2) + N-[(pentafluorophenyl)methylene]-1,2-benzenediamine (111795-45-0) → W(NCC2H5)(CO)3NH2C6H4NCHC6F5 (111847-25-7,157183-45-4)

Guidance literature:

In dichloromethane; (N2); treatment of Schiff base with W complex; immediate pptn. with hexane;

DOI:10.1021/ja00260a027

upstream raw materials:

perfluorobenzaldehyde

1,2-diamino-benzene

W(NCC₂H₅)(CO)3NH₂C₆H₄NCHC₆F₅

Downstream raw materials:

W(NCC₂H₅)(CO)3NH₂C₆H₄NCHC₆F₅