1,1,1,5,5,5-HEXAFLUORO-2,2,4,4-PENTANE-T ETROL, 97

Base Information

• Chemical Name: 1,1,1,5,5,5-HEXAFLUORO-2,2,4,4-PENTANE-T ETROL, 97
• CAS No.: 428-75-1
• Molecular Formula: C5H6 F6 O4
• Molecular Weight: 244.091
• Hs Code.: 2905590090
• Mol file: 428-75-1.mol

Synonyms:1,1,1,5,5,5-Hexafluoroacetylacetonedihydrate; 1,1,1,5,5,5-Hexafluoropentane-2,2,4,4-tetrol

Chemical Property of 1,1,1,5,5,5-HEXAFLUORO-2,2,4,4-PENTANE-T ETROL, 97

Chemical Property:

• Melting Point: 97 °C (dec.)(lit.)
• Boiling Point: 384.0±37.0 °C(Predicted)
• PKA: 9.52±0.50(Predicted)
• PSA: 80.92000
• Density: 1.821±0.06 g/cm3(Predicted)
• LogP: -0.13710

Purity/Quality:

99%min ^*data from raw suppliers

1,1,1,5,5,5-Hexafluoro-2,2,4,4-pentanetetrol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,1,1,5,5,5-HEXAFLUORO-2,2,4,4-PENTANE-T ETROL, 97

There total 11 articles about 1,1,1,5,5,5-HEXAFLUORO-2,2,4,4-PENTANE-T ETROL, 97 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: 83.0%

3,3,3-trifluoroprop-1-yne (661-54-1) + trifluoroacetic acid-methyl ester (431-47-0) → bis(gem-diol) 1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraol (428-75-1)

Guidance literature:

3,3,3-trifluoroprop-1-yne; With n-butyllithium; In n-heptane; tert-butyl methyl ether; at -50 - -26 ℃; for 0.583333h; Inert atmosphere;

trifluoroacetic acid-methyl ester; In n-heptane; tert-butyl methyl ether; at -45 - -30 ℃; for 2h; Further stages; Inert atmosphere;

Reference yield: 78.7%

2-amino-3-hydro-4-iminoperfluoropent-2-ene → bis(gem-diol) 1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraol (428-75-1)

Guidance literature:

With hydrogenchloride; for 3h; Heating;

DOI:10.1023/A:1009506124969

Reference yield: 53.0%

3,3,3-trifluoroprop-1-yne (661-54-1) + ethyl trifluoroacetate, (383-63-1) → bis(gem-diol) 1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraol (428-75-1)

Guidance literature:

3,3,3-trifluoroprop-1-yne; With n-butyllithium; In tetrahydrofuran; hexane; at -30 ℃; for 0.25h; Inert atmosphere;

ethyl trifluoroacetate,; In tetrahydrofuran; hexane; at -30 ℃; for 2h; Temperature; Solvent; Inert atmosphere;

upstream raw materials:

diethyl ether

1,1,1-trifluoro-2-propanone

ethyl trifluoroacetate,

1,1,1,5,5,5-hexafluoroacetylacetone

Downstream raw materials:

1,1,1,5,5,5-hexafluoroacetylacetone

Refernces

• 1、 Dikarev, Evgeny V.,Zhang, Haitao,Li, Bo. "From a bismuth oxido diketonate to a giant bismuth oxido cluster". . p. 5448 - 5451. Retrieved 2006.
• 2、 -. "METHOD FOR PRODUCING 1,1,1,5,5,5-HEXAFLUOROACETYLACETONE". Paragraph 0227-0237. . Retrieved 2016/10/24.