Benzyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate

Base Information

• Chemical Name: Benzyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
• CAS No.: 140229-81-8
• Molecular Formula: C₁₆H₇F₁₇O₄
• Molecular Weight: 586.202
• DSSTox Substance ID: DTXSID40896540
• Mol file: 140229-81-8.mol

Synonyms:Benzyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate;140229-81-8;DTXSID40896540;NS00110463

Chemical Property of Benzyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate

Chemical Property:

• XLogP3: 7.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 10
• Exact Mass: 586.0072875
• Heavy Atom Count: 37
• Complexity: 799

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)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 Benzyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate

There total 2 articles about Benzyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate 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: 68.3%

perfluoro-2,5-dimethyl-3,6-dioxanonanoyl fluoride (2641-34-1) + benzyl alcohol (100-51-6,185532-71-2) → 2'-perfluoropropoxy-2-perfluoropropoxyperfluoropropanoic acid beznyl ester (140229-81-8)

Guidance literature:

With water; for 1h; Ambient temperature;

Reference yield:

benzyl bromide (100-39-0) + perfluoro-2,5-dimethyl-3,6-dioxanonanoyl fluoride (2641-34-1) → perfluoro-[bis-(5-methyl-3,6-dioxa-nonyl-2)-ketone] (61097-83-4) + [1,1,2,3,3,3-Hexafluoro-2-(1,1,2,3,3,3-hexafluoro-2-heptafluoropropyloxy-propoxy)-propoxymethyl]-benzene (140229-80-7) + 2'-perfluoropropoxy-2-perfluoropropoxyperfluoropropanoic acid beznyl ester (140229-81-8)

Guidance literature:

With potassium fluoride; In acetonitrile; at 75 ℃; for 10h; Further byproducts given;

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

upstream raw materials:

benzyl bromide

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

benzyl alcohol