tert-Butyl heptafluorobutanoate

Base Information

• Chemical Name: tert-Butyl heptafluorobutanoate
• CAS No.: 425-24-1
• Molecular Formula: C8H9F7O2
• Molecular Weight: 270.147
• DSSTox Substance ID: DTXSID40895593
• Wikidata: Q82871857
• Mol file: 425-24-1.mol

Synonyms:tert-Butyl heptafluorobutanoate;tert-butyl 2,2,3,3,4,4,4-heptafluorobutanoate;425-24-1;t-butyl heptafluorobutyrate;SCHEMBL9416830;DTXSID40895593;JPVACFHILHDRGX-UHFFFAOYSA-N;AKOS025150578;NS00110382

Chemical Property of tert-Butyl heptafluorobutanoate

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 270.04907666
• Heavy Atom Count: 17
• Complexity: 300

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of tert-Butyl heptafluorobutanoate

There total 6 articles about tert-Butyl heptafluorobutanoate 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:

t-butyl heptafluoroperoxybutyrate (91481-65-1) → heptafluorobutyric Acid (375-22-4) + Di-t-butyl ketone (815-24-7) + 2-Methoxypropene (116-11-0) + tert-butyl heptafluorobutyrate (425-24-1) + acetone (67-64-1)

Guidance literature:

With pyridine; In benzene; at 80 ℃; for 11h; Thermodynamic data; Rate constant; Product distribution; ΔH(excit.); ΔS(excit.); further solvents (octane, nitrobenzene, pyridine, methoxybenzene); other temperature;

DOI:10.1246/bcsj.58.3448

Reference yield:

t-butyl heptafluoroperoxybutyrate (91481-65-1) → heptafluorobutyric Acid (375-22-4) + HFC-227ca (2252-84-8) + methyl heptafluorobutyrate (356-24-1) + tert-butyl heptafluorobutyrate (425-24-1) + isobutene (115-11-7,15220-85-6)

Guidance literature:

With pyridine; In octane; at 100 ℃; for 10h; Thermodynamic data; Rate constant; Product distribution; ΔH(excit.); ΔS(excit.); other temperature;

DOI:10.1246/bcsj.58.3448

Reference yield:

t-butyl heptafluoroperoxybutyrate (91481-65-1) → heptafluorobutyric Acid (375-22-4) + 2-Methoxypropene (116-11-0) + tert-butyl heptafluorobutyrate (425-24-1) + acetone (67-64-1)

Guidance literature:

With methoxybenzene; at 70 ℃; for 7h; Product distribution;

DOI:10.1246/bcsj.58.3448

upstream raw materials:

pyridine

t-butyl heptafluoroperoxybutyrate

Downstream raw materials:

Ethyl tert-butyl ether

tert-butyl alcohol

Refernces

• 1、 Sawada, Hideo,Hagii, Hidehiko,Aoshima, Kazuyoshi,Arai, Takeshi. "Thermal Decomposition of t-Butyl Heptafluoroperoxybutyrate". . p. 1161 - 1162. Retrieved 2007/10/02.