2H-Perfluoro-5-methyl-3,6-dioxanonane

Base Information

• Chemical Name: 2H-Perfluoro-5-methyl-3,6-dioxanonane
• CAS No.: 3330-14-1
• Molecular Formula: C8H F17 O2
• Molecular Weight: 452.068
• Hs Code.: 2932990090
• DSSTox Substance ID: DTXSID50880192
• Nikkaji Number: J421.674A
• Mol file: 3330-14-1.mol

Synonyms:2H-Perfluoro-5-methyl-3,6-dioxanonane;3330-14-1;2h-perfluoro(5-methyl-3,6-dioxanonane);1,1,1,2,2,3,3-heptafluoro-3-{[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxy}propane;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(1,2,2,2-tetrafluoroethoxy)propane;Propane, 1-[1-[difluoro(1,2,2,2-tetrafluoroethoxy)methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,3-heptafluoro-;Propane, 1-(1-(difluoro(1,2,2,2-tetrafluoroethoxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2,3,3,3-heptafluoro-;Fluoroether E2;1,1,1,2,2,3,3-Heptafluoro-3-[[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxy]propane;SCHEMBL198594;C8HF17O2;DTXSID50880192;C8-H-F17-O2;MFCD00054714;AKOS016016027;CF3CFHOCF2CF(CF3)OCF2CF2CF3;FT-0612506;H1624;D91056;A821715;1,1,1,2,4,4,5,7,7,8,8,9,9,9-Tetradecafluoro-5-(trifluoromethyl)-3,6-dioxanonane;1,1,1,2,2,3,3-Heptafluoro-3-(1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yloxy)propane;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoro-propoxy)-3-(1,2,2,2-tetrafluoro-ethoxy)-propane

Chemical Property of 2H-Perfluoro-5-methyl-3,6-dioxanonane

Chemical Property:

• Vapor Pressure: 4.37mmHg at 25°C
• Melting Point: -122°C
• Refractive Index: 1.257
• Boiling Point: 103-105°C
• Flash Point: 52.3°C
• PSA: 18.46000
• Density: 1.695g/cm³
• LogP: 5.48880
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 6
• Exact Mass: 451.9705080
• Heavy Atom Count: 27
• Complexity: 515

Purity/Quality:

99% ^*data from raw suppliers

1,1,1,2,2,3,3-Heptafluoro-3-[[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxy]propane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2H-Perfluoro-5-methyl-3,6-dioxanonane

There total 9 articles about 2H-Perfluoro-5-methyl-3,6-dioxanonane 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: 64.0%

chlorodifluoroacetic anhydride (2834-23-3) + perfluoro-2,5-dimethyl-3,6-dioxanonanoyl fluoride (2641-34-1) → 1,1,1,2,2,3,3,5,6,6,8,9,9,9-Tetradecafluoro-4,7-dioxa-5-(trifluoromethyl)-nonane (3330-14-1) + 1,1,1,2,3,3-hexafluoro-2-(heptafluoropropoxy)-3-[(trifluorovinyl)oxy]propane (1644-11-7) + 1-Chloro-1,1,3,4,4,4-hexafluoro-3-(1,1,2,3,3,3-hexafluoro-2-heptafluoropropyloxy-propoxy)-butan-2-one (140229-79-4)

Guidance literature:

With potassium fluoride; In acetonitrile; at 70 ℃; for 4h; Yields of byproduct given;

DOI:10.1016/S0022-1139(00)81257-9

Reference yield: 63.0%

(1Z,6Z)-2,2,4,4-Tetraphenyl-6,8-bis-[1,2,2,2-tetrafluoro-1-(1,1,2,3,3,3-hexafluoro-2-heptafluoropropyloxy-propoxy)-ethyl]-2λ5,4λ5-[1,3,5,7,2,4]tetrazadiphosphocine → 2,2-diphenyl-4,6-bis-[1,2,2,2-tetrafluoro-1-(1,1,2,3,3,3-hexafluoro-2-heptafluoropropoxy-propoxy)-ethyl]-2λ5-[1,3,5,2]triazaphosphinine (65288-70-2) + Perfluoro-2,5-dimethyl-3,6-dioxanonanonitril (57697-79-7) + 1,1,1,2,2,3,3,5,6,6,8,9,9,9-Tetradecafluoro-4,7-dioxa-5-(trifluoromethyl)-nonane (3330-14-1) + hexaphenyl-cyclotriphosphazene (1110-78-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

With air; at 316 ℃; for 24h; Product distribution; various temp.; effect of oxigen;

DOI:10.1016/S0022-1139(00)82366-0

Reference yield: 62.0%

perfluoro-(2,5-dimethyl-3,6-dioxanonanoyl) fluoride → 1,1,1,2,2,3,3,5,6,6,8,9,9,9-Tetradecafluoro-4,7-dioxa-5-(trifluoromethyl)-nonane (3330-14-1) + 1,1,1,2,3,3-hexafluoro-2-(heptafluoropropoxy)-3-[(trifluorovinyl)oxy]propane (1644-11-7)

Guidance literature:

With sodium hydroxide; In water; at 260 - 340 ℃;

DOI:10.1016/S0008-6215(02)00287-2

upstream raw materials:

benzoyl chloride

perfluoro-2,5-dimethyl-3,6-dioxanonanoyl fluoride

metyhyl chlorodifluoroacetate

chlorodifluoroacetic anhydride

Refernces

• 1、 Yuminov. "Polyfluorinated ethers: IV.* By-products in the synthesis of polyfluorinated alkyl vinyl ethers in a solvating solvent". . p. 1715 - 1720. Retrieved 2007/10/03.
• 2、 Chen, L. S.,Eapen, K. C.. "Formation and reactions of carbanions from α-substituted perfluoroacyl fluorides". . p. 93 - 100. Retrieved 2007/10/02.