5,5,6,6,7,7,8,8,8-Nonafluorooctane-2,4-dione

Base Information

• Chemical Name: 5,5,6,6,7,7,8,8,8-Nonafluorooctane-2,4-dione
• CAS No.: 355-84-0
• Molecular Formula: C8H5 F9 O2
• Molecular Weight: 304.112
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID70379715
• Wikidata: Q81985807
• Mol file: 355-84-0.mol

Synonyms:355-84-0;5,5,6,6,7,7,8,8,8-nonafluorooctane-2,4-dione;(Perfluoro-1-butyl)butane-1,3-dione;5,5,6,6,7,7,8,8,8-NONAFLUORO-2,4-OCTANEDIONE;1,1,1,2,2,3,3,4,4-Nonafluoro-5,7-octanedione;SCHEMBL20690112;DTXSID70379715;NQPVZXRGQCXFLN-UHFFFAOYSA-N;MFCD00153220;AKOS015852911;CS-0451626;FT-0619762;A822889;5,5,6,6,7,7,8,8,8-nonakis(fluoranyl)octane-2,4-dione

Chemical Property of 5,5,6,6,7,7,8,8,8-Nonafluorooctane-2,4-dione

Chemical Property:

• Boiling Point: 165.1°Cat760mmHg
• Flash Point: 59.1°C
• PSA: 34.14000
• Density: 1.49g/cm³
• LogP: 3.00280
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 304.01458286
• Heavy Atom Count: 19
• Complexity: 382

Purity/Quality:

97% ^*data from raw suppliers

5,5,6,6,7,7,8,8,8-Nonafluorooctan-2,4-dione 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Technology Process of 5,5,6,6,7,7,8,8,8-Nonafluorooctane-2,4-dione

There total 1 articles about 5,5,6,6,7,7,8,8,8-Nonafluorooctane-2,4-dione 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-acetyl-5,5,6,6,7,7,8,8,8-nonafluorooctane-2,4-dione (120110-91-0) → 5,5,6,6,7,7,8,8,8-nonafluoro-octane-2,4-dione (355-84-0) + acetylacetone (123-54-6,81235-32-7)

Guidance literature:

With pyridine; In water; at 70 ℃; for 2h; Product distribution; 2.) Cu(OAc)2; other reagent, reaction temperature and reaction time; also without treatment by copper acetate after hydrolysis;

DOI:10.1007/BF00962526

Reference yield: 97.0%

5,5,6,6,7,7,8,8,8-nonafluoro-octane-2,4-dione (355-84-0) + [hydroxy(tosyloxy)iodo]benzene (27126-76-7) → 5,5,6,6,7,7,8,8,8-nonafluoro-4,4-dihydroxy-3-tosyloxyoctan-2-one

Guidance literature:

In acetonitrile; for 0.133333h; Ambient temperature;

DOI:10.1007/BF01169737

Reference yield:

5,5,6,6,7,7,8,8,8-nonafluoro-octane-2,4-dione (355-84-0) → 1,2-bis(1-methyl-2-perfluoropentanoylvinylamino)benzene

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / aq. HClO₄ / ethanol / Heating

2: 94 percent / pyridine / 25 °C

With pyridine; perchloric acid; In ethanol;

DOI:10.1007/s11172-006-0090-9

upstream raw materials:

2-acetyl-5,5,6,6,7,7,8,8,8-nonafluorooctane-2,4-dione

Downstream raw materials:

2-(1-methyl-2-perfluoropentanoylvinylamino)aniline

Refernces