1,1,1,3,3,3-Hexafluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

Base Information

• Chemical Name: 1,1,1,3,3,3-Hexafluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
• CAS No.: 118334-96-6
• Molecular Formula: C₇HF₁₅O₃S
• Molecular Weight: 450.125
• DSSTox Substance ID: DTXSID30895926
• Wikidata: Q82872085
• Mol file: 118334-96-6.mol

Synonyms:118334-96-6;1,1,1,3,3,3-Hexafluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,2,2,3,3,4,4,4-Nonafluoro-butane-1-sulfonic acid 2,2,2-trifluoro-1-trifluoromethyl-ethyl ester;1,1,1,3,3,3-Hexafluoropropan-2-yl nonafluorobutane-1-sulfonate;C7HF15O3S;DTXSID30895926;AMY32577;MFCD22689178;SB31058;CS-0341474;NS00110062;A927061;1,1,1,3,3,3-Hexafluoro-2-propyl perfluorobutane-1-sulfonate;1,1,1,3,3,3-Hexafluoropropan-2-yl1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

Chemical Property of 1,1,1,3,3,3-Hexafluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

Chemical Property:

• Boiling Point: 46.5-47.5 °C(Press: 30 Torr)
• Density: 1.773±0.06 g/cm3(Predicted)
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 5
• Exact Mass: 449.9406875
• Heavy Atom Count: 26
• Complexity: 589

Purity/Quality:

99% ^*data from raw suppliers

1,1,2,2,3,3,4,4,4-Nonafluoro-butane-1-sulfonicAcid2,2,2-Trifluoro-1-trifluoromethyl-ethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(F)(F)F)(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Uses: 1,1,2,2,3,3,4,4,4-Nonafluoro-butane-1-sulfonic Acid 2,2,2-Trifluoro-1-trifluoromethyl-ethyl Ester is a useful reactant in organic synthesis.

Technology Process of 1,1,1,3,3,3-Hexafluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

There total 1 articles about 1,1,1,3,3,3-Hexafluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate 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%

Nonafluorobutanesulfonyl fluoride (375-72-4) + 1,1,1,3',3',3'-hexafluoro-propanol (920-66-1) → 1,1,2,2,3,3,4,4,4-nonafluoro-butane-1-sulfonic acid 2,2,2-trifluoro-1-trifluoromethyl-ethyl ester (118334-96-6)

Guidance literature:

With triethylamine; In dichloromethane; Ambient temperature;

DOI:10.1021/jo00267a036

Reference yield: 88.0%

1,1,2,2,3,3,4,4,4-nonafluoro-butane-1-sulfonic acid 2,2,2-trifluoro-1-trifluoromethyl-ethyl ester (118334-96-6) → 1,1,1,3,3,3-Hexafluoroisopropyl iodide (4141-91-7)

Guidance literature:

With sodium iodide; In acetylacetone; at 110 ℃; for 16h;

DOI:10.1021/jo00267a036

Reference yield: 78.0%

1,1,2,2,3,3,4,4,4-nonafluoro-butane-1-sulfonic acid 2,2,2-trifluoro-1-trifluoromethyl-ethyl ester (118334-96-6) → 2-chloro-1,1,1,3,3,3-hexafluoropropane (431-87-8,134308-72-8)

Guidance literature:

With (1,4,7,10-tetraoxacyclododecane); lithium chloride; In acetylacetone; at 130 ℃; for 16h;

DOI:10.1021/jo00267a036

upstream raw materials:

Nonafluorobutanesulfonyl fluoride

1,1,1,3',3',3'-hexafluoro-propanol

Downstream raw materials:

2-chloro-1,1,1,3,3,3-hexafluoropropane

1,1,1,3,3,3-Hexafluoroisopropyl iodide

Refernces

• 1、 Hanack, Michael,Ullmann, Joerg. "Facile Synthesis of Trifluoro- and Hexafluoroisopropyl Halides". . p. 1432 - 1435. Retrieved 2007/10/02.