Trimethyl-3-(((nonafluorobutyl)sulphonyl)amino)propylammonium iodide

Base Information

• Chemical Name: Trimethyl-3-(((nonafluorobutyl)sulphonyl)amino)propylammonium iodide
• CAS No.: 67939-95-1
• Molecular Formula: C₁₀H₁₆F₉N₂O₂S*I
• Molecular Weight: 526.205
• European Community (EC) Number: 267-868-2
• DSSTox Substance ID: DTXSID10880577
• Mol file: 67939-95-1.mol

Synonyms:67939-95-1;Trimethyl-3-(((nonafluorobutyl)sulphonyl)amino)propylammonium iodide;EINECS 267-868-2;3-(((Nonafluorobutyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium iodide;1-Propanaminium, N,N,N-trimethyl-3-(((nonafluorobutyl)sulfonyl)amino)-, iodide;1-Propanaminium, N,N,N-trimethyl-3-[[(nonafluorobutyl)sulfonyl]amino]-, iodide;1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl)amino)-, iodide (1:1);TRIMETHYL-3-[[(NONAFLUOROBUTYL)SULPHONYL]AMINO]PROPYLAMMONIUM IODIDE;C10H16F9N2O2S.I;SCHEMBL22091541;DTXSID10880577;C10-H16-F9-N2-O2-S.I;1-Propanaminium, N,N,N-trimethyl-3-[[(nonafluorobutyl) sulfonyl]amino]-, iodide

Chemical Property of Trimethyl-3-(((nonafluorobutyl)sulphonyl)amino)propylammonium iodide

Chemical Property:

• PSA: 54.55000
• LogP: 0.90350
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 525.98335
• Heavy Atom Count: 25
• Complexity: 532

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C[N+](C)(C)CCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[I-]

Technology Process of Trimethyl-3-(((nonafluorobutyl)sulphonyl)amino)propylammonium iodide

There total 4 articles about Trimethyl-3-(((nonafluorobutyl)sulphonyl)amino)propylammonium iodide 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: 96.0%

perfluorobutylsulfonyl(3-dimethylaminopropyl)amine + methyl iodide (74-88-4) → N,N,N-trimethyl-3-((perfluorobutyl)sulfonamido)propan-1-aminium iodide (67939-95-1)

Guidance literature:

at 100 ℃; for 16h;

Reference yield: 96.0%

perfluorobutylsulfonyl(3-dimethylaminopropyl)amine → N,N,N-trimethyl-3-((perfluorobutyl)sulfonamido)propan-1-aminium iodide (67939-95-1)

Guidance literature:

Reference yield: 90.0%

Nonafluorobutanesulfonyl fluoride (375-72-4) + 1,3-bis(methylamino)propane (111-33-1) + methyl iodide (74-88-4) → N,N,N-trimethyl-3-((perfluorobutyl)sulfonamido)propan-1-aminium iodide (67939-95-1)

Guidance literature:

Nonafluorobutanesulfonyl fluoride; 1,3-bis(methylamino)propane; In toluene; at 45 ℃; for 6h; Cooling with ice;

methyl iodide; In toluene; acetonitrile; at 80 ℃; for 10h; Inert atmosphere;

upstream raw materials:

Nonafluorobutanesulfonyl fluoride

1,3-bis(methylamino)propane

methyl iodide

1-amino-3-(dimethylamino)propane

Refernces

• 1、 -. "Surface active agent based on perfluorocyclobutane and preparation method thereof". Paragraph 0058; 0059; 0060; 0061; 0062; 0063. . Retrieved 2017/09/26.