Pentane, 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(trifluoromethyl)-

Base Information

• Chemical Name: Pentane, 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(trifluoromethyl)-
• CAS No.: 100645-99-6
• Molecular Formula: C7H3F13
• Molecular Weight: 334.08
• DSSTox Substance ID: DTXSID60467913
• Wikidata: Q81986023
• Mol file: 100645-99-6.mol

Synonyms:2-methyl-2-trifluoromethylperfluoropentane;100645-99-6;Pentane, 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(trifluoromethyl)-;SCHEMBL9344631;DTXSID60467913;NS00110883;3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentane

Chemical Property of Pentane, 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(trifluoromethyl)-

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 2
• Exact Mass: 334.0027162
• Heavy Atom Count: 20
• Complexity: 338

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Pentane, 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(trifluoromethyl)-

There total 3 articles about Pentane, 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(trifluoromethyl)- 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:

2,3-bis(fluorosulfato)perfluoro-(2-methylpentane) (132182-90-2) + dimethyl sulfate (77-78-1) → heptafluoropropyl methyl ether (375-03-1) + 1,1,1,2,3,3,3-heptafluoro-2-methoxypropane (22052-84-2) + 2-methyl-2-trifluoromethylperfluoropentane (100645-99-6) + 1,1,1,2,2,3,5,5,5-Nonafluoro-3,4-dimethoxy-4-trifluoromethyl-pentane (132182-94-6)

Guidance literature:

With cesium fluoride; In N,N-dimethyl-formamide; at 20 ℃; for 3h; Yield given. Further byproducts given. Yields of byproduct given;

DOI:10.1007/BF00958252

Reference yield:

methyl bromide (74-83-9) + perfluoro-4-methyl-2-pentene (2070-70-4) → perfluoro-2-methylpent-1-ene (359-72-8) + 1,1,1,2,2,3,3,5,5,5-decafluoro-4-trifluoromethyl-pentane (30320-28-6) + 2-methyl-2-trifluoromethylperfluoropentane (100645-99-6)

Guidance literature:

With cesium fluoride; In N,N-dimethyl-formamide; at 18 ℃; for 48h; Yields of byproduct given;

DOI:10.1016/S0022-1139(00)81980-6

Reference yield:

perfluoro-4-methyl-2-pentene (2070-70-4) + methyl iodide (74-88-4) → perfluoro-2-methylpent-1-ene (359-72-8) + 1,1,1,2,2,3,3,5,5,5-decafluoro-4-trifluoromethyl-pentane (30320-28-6) + 2-methyl-2-trifluoromethylperfluoropentane (100645-99-6)

Guidance literature:

With cesium fluoride; In diethylene glycol dimethyl ether; at 20 ℃; for 18h; Yields of byproduct given;

DOI:10.1016/S0022-1139(00)81980-6

upstream raw materials:

methyl bromide

perfluoro-4-methyl-2-pentene

2,3-bis(fluorosulfato)perfluoro-(2-methylpentane)

dimethyl sulfate