N-(pentafluorophenyl)-N-phenylacetamide

Base Information

• Chemical Name: N-(pentafluorophenyl)-N-phenylacetamide
• CAS No.: 1975-96-8
• Molecular Formula: C₁₄H₈F₅NO
• Molecular Weight: 301.216
• DSSTox Substance ID: DTXSID20367480
• Wikidata: Q82153356
• ChEMBL ID: CHEMBL1594965
• Mol file: 1975-96-8.mol

Synonyms:N-(pentafluorophenyl)-N-phenylacetamide;1975-96-8;acetamide,n-(pentafluorophenyl)-n-phenyl-;CBMicro_047832;regid4265142;Cambridge id 5212503;MLS000060923;CHEMBL1594965;DTXSID20367480;HMS2420B08;SMR000069151;BIM-0047958.P001;AB00075388-01

Chemical Property of N-(pentafluorophenyl)-N-phenylacetamide

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 301.05260469
• Heavy Atom Count: 21
• Complexity: 360

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(C1=CC=CC=C1)C2=C(C(=C(C(=C2F)F)F)F)F

Technology Process of N-(pentafluorophenyl)-N-phenylacetamide

There total 2 articles about N-(pentafluorophenyl)-N-phenylacetamide 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: 14.4%

Hexafluorobenzene (392-56-3) + Acetanilid (103-84-4) → N,N'-diacetyl-N,N'-diphenyl-tetrafluoro-1,4-phenylenediamine (945041-55-4) + 2,3,4,5,6-pentafluoro-N-phenylacetanilide (1975-96-8)

Guidance literature:

Acetanilid; With sodium hydride; In tetrahydrofuran; at 0 ℃;

Hexafluorobenzene; In tetrahydrofuran; N,N-dimethyl-formamide; for 3h; Heating;

With hydrogenchloride; In tetrahydrofuran; Further stages.;

DOI:10.1016/j.jfluchem.2006.06.019

Reference yield:

→ 2,3,4,5,6-pentafluoro-N-phenylacetanilide (1975-96-8)

Guidance literature:

2,3,4,5,6-Pentafluor-diphenylamin, 1) LiNH2, THF; 2) Acetylchlorid;

DOI:10.1016/S0022-1139(00)81788-1

upstream raw materials:

Hexafluorobenzene

Acetanilid