2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide

Base Information

• Chemical Name: 2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide
• CAS No.: 21970-67-2
• Molecular Formula: C₁₃H₈F₅NO
• Molecular Weight: 289.205
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID50341778
• Nikkaji Number: J108.166G
• Wikidata: Q82112197
• Mol file: 21970-67-2.mol

Synonyms:21970-67-2;2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide;Propionamide, 2,2,3,3,3-pentafluoro-N-1-naphthyl-;DTXSID50341778;1-Naphthylamine, N-pentafluoropropionyl-;2,2,3,3,3-Pentafluoro-N-(1-naphthyl)propanamide;2,2,3,3,3-Pentafluoro-N-(1-naphthalenyl)propanamide;Propanamide, 2,2,3,3,3-pentafluoro-N-1-naphthalenyl-;Propanamide, N-(1-naphthyl)-2,2,3,3,3-pentafluoro-

Chemical Property of 2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide

Chemical Property:

• PSA: 32.59000
• LogP: 4.62540
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 289.05260469
• Heavy Atom Count: 20
• Complexity: 368

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)C(C(F)(F)F)(F)F

Technology Process of 2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide

There total 1 articles about 2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide 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:

2,2,3,3,3-pentafluoropropanoic anhydride (356-42-3) + 1-amino-naphthalene (134-32-7) → N-<1>Naphthyl- (21970-67-2)

Guidance literature:

With triethylamine; In benzene; at 60 ℃; for 0.25h;

DOI:10.1021/ac00259a034

Reference yield: 60.0%

N-<1>Naphthyl- (21970-67-2) + para-methylphenylmagnesium bromide (4294-57-9) → 4-methyl-N-(quinolin-8-yl)benzamide (33757-49-2)

Guidance literature:

In tetrahydrofuran; at 70 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.9b00583

upstream raw materials:

2,2,3,3,3-pentafluoropropanoic anhydride

1-amino-naphthalene

Downstream raw materials:

4-methyl-N-(quinolin-8-yl)benzamide