Methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate

Base Information

• Chemical Name: Methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate
• CAS No.: 39187-41-2
• Molecular Formula: C6H3F9O4
• Molecular Weight: 310.07
• Hs Code.: 29159000
• DSSTox Substance ID: DTXSID40377687
• Wikidata: Q81985765
• Mol file: 39187-41-2.mol

Synonyms:Methyl perfluoro-3,6-dioxaheptanoate;39187-41-2;Methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate;Acetic acid,2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]-, methyl ester;Perfluoro-3,6-dioxaheptanoic acid methyl ester;methyl 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy)acetate;DTXSID40377687;NDRNDAZKCQFBST-UHFFFAOYSA-N;MFCD03094140;AKOS015852738;CS-0452045;FT-0676850;A824447;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid methyl ester;methyl 2,2-bis(fluoranyl)-2-[1,1,2,2-tetrakis(fluoranyl)-2-(trifluoromethyloxy)ethoxy]ethanoate

Chemical Property of Methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate

Chemical Property:

• Vapor Pressure: 2.35mmHg at 25°C
• Refractive Index: 1.303
• Boiling Point: 160.7 °C at 760 mmHg
• Flash Point: 50.2 °C
• PSA: 44.76000
• Density: 1.606 g/cm³
• LogP: 2.49080
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 309.98876203
• Heavy Atom Count: 19
• Complexity: 336

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl perfluoro-3,6-dioxaheptanoate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F

Technology Process of Methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate

There total 1 articles about Methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate 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:

methanol (67-56-1) + 1,1,2,2,3,3-hexafluoro-1-[(1,2,2-trifluoroethenyl)oxy]-3-(trifluoromethoxy)-propane (40573-09-9) → perfluoro (3,6-dioxa-heptanoic acid) methyl ester (39187-41-2)

Guidance literature:

With oxygen; boron trifluoride; at 80 ℃;

Reference yield:

perfluoro (3,6-dioxa-heptanoic acid) methyl ester (39187-41-2) + acetophenone (98-86-2) → C13H7F9O4

Guidance literature:

acetophenone; With potassium tert-butylate; In tetrahydrofuran; at 0 - 20 ℃; for 0.25h;

perfluoro (3,6-dioxa-heptanoic acid) methyl ester; for 20h;

upstream raw materials:

methanol

1,1,2,2,3,3-hexafluoro-1-[(1,2,2-trifluoroethenyl)oxy]-3-(trifluoromethoxy)-propane

Refernces