4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanal

Base Information

• Chemical Name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanal
• CAS No.: 42028-44-4
• Molecular Formula: C11H5F17O
• Molecular Weight: 476.133
• DSSTox Substance ID: DTXSID40895452
• Nikkaji Number: J1.353.768B
• Wikidata: Q82871667
• Mol file: 42028-44-4.mol

Synonyms:4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanal;42028-44-4;SCHEMBL19699318;DTXSID40895452

Chemical Property of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanal

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 9
• Exact Mass: 476.0068935
• Heavy Atom Count: 29
• Complexity: 601

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanal

There total 1 articles about 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanal 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:

phenyl(perfluorooctyl)iodonium triflate (77758-89-5) + allyl alcohol (107-18-6) → 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-undecan-1-al (42028-44-4) + (2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)oxirane (38565-53-6)

Guidance literature:

With pyridine; In N,N-dimethyl-formamide; for 1h; Yield given. Yields of byproduct given; Ambient temperature;

DOI:10.1016/S0040-4039(00)87051-3

Reference yield: 91.0%

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-undecan-1-al (42028-44-4) + benzylamine (100-46-9) → benzyl-bis-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-undecyl)-amine

Guidance literature:

With sodium tris(acetoxy)borohydride; In tetrahydrofuran; for 5h;

DOI:10.1002/1099-0690(200007)2000:14<2621::AID-EJOC2621>3.0.CO;2-H

Reference yield: 90.0%

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-undecan-1-al (42028-44-4) + triphenyl-(4-trityloxy-butyl)-phosphonium iodide → 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-15-trityloxy-pentadec-11(Z)-ene (943439-98-3)

Guidance literature:

triphenyl-(4-trityloxy-butyl)-phosphonium iodide; With n-butyllithium; In tetrahydrofuran; hexane; at -30 ℃; for 0.25h;

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-undecan-1-al; In tetrahydrofuran; hexane; at -30 - 20 ℃; for 0.75h; Further stages.;

DOI:10.1021/ol0705503

upstream raw materials:

phenyl(perfluorooctyl)iodonium triflate

allyl alcohol

Downstream raw materials:

benzyl-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-undecyl)-amine

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-15-trityloxy-pentadec-11(Z)-ene

[8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4(Z)-en-1-yl] 3,4-di-O-benzyl-2-O-pivaloyl-β-D-glucopyranoside

[8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4(Z)-en-1-yl] 6-O-[3,4-di-O-benzyl-2-O-pivaloyl-β-D-glucopyranosyl]-3,4-di-O-benzyl-2-O-pivaloyl-β-D-glucopyranoside