2,2,3,3,4,4-Hexafluoro-1,5-pentanediol

Base Information

• Chemical Name: 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol
• CAS No.: 376-90-9
• Deprecated CAS: 29713-13-1
• Molecular Formula: C5H6F6O2
• Molecular Weight: 212.092
• Hs Code.: 29055900
• European Community (EC) Number: 206-819-1
• NSC Number: 29196
• UNII: F2KZY84Y8G
• DSSTox Substance ID: DTXSID3059927
• Nikkaji Number: J213.595G
• Wikidata: Q81985266
• Mol file: 376-90-9.mol

Synonyms:2,2,3,3,4,4-Hexafluoro-1,5-pentanediol;376-90-9;2,2,3,3,4,4-Hexafluoropentane-1,5-diol;Hexafluoroamylene glycol;1,5-Pentanediol, 2,2,3,3,4,4-hexafluoro-;2,2,3,3,4,4-Hexafluoropentanediol;Hexafluoro-1,5-pentanediol;C5H6F6O2;2,2,3,3,4,4-Hexafluoropentan-1,5-diol;EINECS 206-819-1;NSC 29196;1,5-Dihydroxy-2,2,3,3,4,4-hexafluoropentane;F2KZY84Y8G;NSC-29196;NSC29196;UNII-F2KZY84Y8G;SCHEMBL851143;DTXSID3059927;IELVMUPSWDZWSD-UHFFFAOYSA-;2,3,3,4,4-Hexafluoropentanediol;MFCD00042434;1, 2,2,3,3,4,4-hexafluoro-;AKOS015852931;AT23339;1h,1h,5h,5h-perfluoro-1,5-pentanediol;BS-43804;2,3,3,4,4-Hexafluoro-1,5-pentanediol;LS-101661;CS-0217834;FT-0609071;H0746;2,2,3,3,4,4-hexafluoro-pentane-1,5-diol;EN300-87257;2,2,3,3,4,4-Hexafluoro-1,5-pentanediol, 98%

Chemical Property of 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.00617mmHg at 25°C
• Melting Point: 78-81 °C(lit.)
• Refractive Index: 1.34
• Boiling Point: 297.2 °C at 760 mmHg
• PKA: 12.68±0.10(Predicted)
• Flash Point: 133.5 °C
• PSA: 40.46000
• Density: 1.526 g/cm³
• LogP: 0.87690
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 212.02719840
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2,3,3,4,4-Hexafluoro-1,5-pentanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi,T
• Hazard Codes: Xn,Xi,T
• Statements: 22-36/37/38
• Safety Statements: 36-36/37-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(C(C(CO)(F)F)(F)F)(F)F)O
• Uses: 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol can be used for the preparation of cyclic and acyclic polyfluorosiloxanes as precursors to per- and polyfluoroethers. Used for the preparation of cyclic and acyclic polyfluorosiloxanes as precursors to per- and polyfluoroethers.

Technology Process of 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol

There total 4 articles about 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol 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: 82.8%

hexafluoropentanedioyl dichloride (678-77-3) → 2,2,3,3,4,4-hexafluoro-1,5-pentanediol (376-90-9)

Guidance literature:

hexafluoropentanedioyl dichloride; With ethanol; at 20 - 30 ℃; for 1.5h;

With sodium tetrahydroborate; ethanol; water; sodium hydroxide; at 10 - 20 ℃; for 0.5h; pH=Ca. 10;

Reference yield:

diethyl perfluoroglutarate (424-40-8) → 2,2,3,3,4,4-hexafluoro-1,5-pentanediol (376-90-9)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/ja01122a049

Reference yield:

hexafluoro-pentanedioic acid; disodium salt (25595-94-2) → 2,2,3,3,4,4-hexafluoro-1,5-pentanediol (376-90-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 1H-imidazole; 18-crown-6 ether; oxalyl dichloride / dichloromethane / 2.5 h / 55 °C

2.1: ethanol / 1.5 h / 20 - 30 °C

2.2: 0.5 h / 10 - 20 °C / pH Ca_. 10

With 1H-imidazole; oxalyl dichloride; 18-crown-6 ether; ethanol; In dichloromethane;

upstream raw materials:

diethyl perfluoroglutarate

hexafluoropentanedioyl dichloride

hexafluoro-pentanedioic acid; disodium salt

Downstream raw materials:

1,1,5,5-Tetrahydroperfluoramylenphenylphosphonat

1,5-Bis-triphenylsiloxy-2,2,3,3,4,4-hexafluor-pentan

2,2,3,3,4,4-hexafluoro-1,5-pentanediol diglycidyl ether

trifluoromethanesulfonic acid 2,2,3,3,4,4-hexafluoro-1,5-pentanediyl ester

Refernces

• 1、 -. "Method for preparing fluorine-containing dihydric alcohol from fluorine-containing cycloolefin". Paragraph 0050-0051. . Retrieved 2021/07/01.