Methyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoate

Base Information

• Chemical Name: Methyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoate
• CAS No.: 110260-75-8
• Molecular Formula: C₁₀H₇F₁₃O₂
• Molecular Weight: 406.144
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID00551769
• Wikidata: Q81986075
• Mol file: 110260-75-8.mol

Synonyms:110260-75-8;Methyl 2H,2H,3H,3H-perfluorononanoate;methyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoate;Methyl 3-(perfluorohexyl)propanoate;Nonanoic acid, 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-, methyl ester;SCHEMBL1233246;DTXSID00551769;RJTDDBAPCSPXHO-UHFFFAOYSA-N;MFCD03412256;AKOS016015307;Methyl2H,2H,3H,3H-perfluorononanoate;NS00108818

Chemical Property of Methyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoate

Chemical Property:

• PSA: 26.30000
• LogP: 4.67840
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 406.0238456
• Heavy Atom Count: 25
• Complexity: 494

Purity/Quality:

99% ^*data from raw suppliers

Methyl4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoate

There total 2 articles about Methyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoate 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: 75.0%

1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (335-56-8) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoate (110260-75-8)

Guidance literature:

With tris-(trimethylsilyl)silane; 1,1'-azobis(1-cyanocyclohexanenitrile); In water; at 70 ℃; Inert atmosphere;

DOI:10.1021/jo100901z

Reference yield: 75.0%

n-perfluorohexyl iodide (355-43-1) + crotonaldehyde (123-73-9,4170-30-3) → methyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoate (110260-75-8)

Guidance literature:

With tris-(trimethylsilyl)silane; oxygen; In water; at 20 ℃; for 36h; Inert atmosphere;

DOI:10.1021/jo100901z

upstream raw materials:

1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane

acrylic acid methyl ester

n-perfluorohexyl iodide

crotonaldehyde

Refernces