Bis(2,2,2-trifluoroethyl) Carbonate

Base Information

• Chemical Name: Bis(2,2,2-trifluoroethyl) Carbonate
• CAS No.: 1513-87-7
• Molecular Formula: C5H4F6O3
• Molecular Weight: 226.075
• Hs Code.: 2920901090
• European Community (EC) Number: 807-996-3
• DSSTox Substance ID: DTXSID30778861
• Nikkaji Number: J1.483.176B
• Mol file: 1513-87-7.mol

Synonyms:Bis(2,2,2-trifluoroethyl) Carbonate;1513-87-7;bis(2,2,2-trifluoroethyl)carbonate;Carbonic Acid Bis(2,2,2-trifluoroethyl) Ester;bistrifluoroethyl carbonate;SCHEMBL308851;DTXSID30778861;MFCD11857845;AKOS026677333;B4703;EN300-41766;D89102;J-008807;F1905-7010;Z425331144

Chemical Property of Bis(2,2,2-trifluoroethyl) Carbonate

Chemical Property:

• Refractive Index: 1.3120 to 1.3160
• Boiling Point: 118°C(lit.)
• PSA: 35.53000
• Density: 1.470±0.06 g/cm3(Predicted)
• LogP: 2.26420
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 226.00646296
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

98% ^*data from raw suppliers

TFEC ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Bis(2,2,2-trifluoroethyl) Carbonate

There total 20 articles about Bis(2,2,2-trifluoroethyl) Carbonate 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: 99.0%

1,1,1,3,3,3-hexachloro-propan-2-one (116-16-5) + 2,2,2-trifluoroethanol (75-89-8) → chloroform (67-66-3,8013-54-5) + bis(2,2,2-trifluoroethyl) carbonate (1513-87-7)

Guidance literature:

With potassium fluoride; zirconium(IV) oxide; at 140 ℃; for 10h; pressure tight reactor;

Reference yield: 88.0%

phosgene (75-44-5) + 2,2,2-trifluoroethanol (75-89-8) → bis(2,2,2-trifluoroethyl) carbonate (1513-87-7)

Guidance literature:

With pyridine; In diethyl ether;

DOI:10.1021/jo00353a009

Reference yield: 77.2%

2,2,2-trifluoroethanol (75-89-8) + bis(trichloromethyl) carbonate (32315-10-9) → bis(2,2,2-trifluoroethyl) carbonate (1513-87-7)

Guidance literature:

With triethylamine; at 25 ℃; for 4h;

upstream raw materials:

phosgene

2,2,2-trifluoroethanol

1,1,1,3,3,3-hexachloro-propan-2-one

bis(trichloromethyl) carbonate

Refernces

• 1、 Bittner,E.W.,Gerig,J.T.. "-". . p. 913 - 922. Retrieved 1972.
• 2、 -. "Continuous method for preparing carbonate esters". Page/Page column 16. . Retrieved 2021/06/09.
• 3、 Dai, Namin,Eda, Kazuo,Harada, Hidefumi,Hashimoto, Yuka,Hosokawa, Sasuga,Kakiuchi, Toshifumi,Liang, Fengying,Okazoe, Takashi,Suzuki, Yuto,Tana, Gegen,Tsuda, Akihiko. "Photo-on-Demand Base-Catalyzed Phosgenation Reactions with Chloroform: Synthesis of Arylcarbonate and Halocarbonate Esters". . p. 9811 - 9819. Retrieved 2021/07/20.