N,N-Dimethyl-N-(3-F-octylpropyl)-6-ammoniohexanoate

Base Information

• Chemical Name: N,N-Dimethyl-N-(3-F-octylpropyl)-6-ammoniohexanoate
• CAS No.: 145441-35-6
• Molecular Formula: C₁₉H₂₂F₁₇NO₂
• Molecular Weight: 619.362
• DSSTox Substance ID: DTXSID10163039
• Wikidata: Q83031885
• Mol file: 145441-35-6.mol

Synonyms:N,N-Dimethyl-N-(3-F-octylpropyl)-6-ammoniohexanoate;1-Undecanaminium, N-(5-carboxypentyl)-N,N-dimethyl-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-, hydroxide, inner salt;145441-35-6;DTXSID10163039;C19H22F17NO2;C19-H22-F17-N-O2;LS-158392

Chemical Property of N,N-Dimethyl-N-(3-F-octylpropyl)-6-ammoniohexanoate

Chemical Property:

• XLogP3: 8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 15
• Exact Mass: 619.1379077
• Heavy Atom Count: 39
• Complexity: 831

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(CCCCCC(=O)[O-])CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Technology Process of N,N-Dimethyl-N-(3-F-octylpropyl)-6-ammoniohexanoate

There total 4 articles about N,N-Dimethyl-N-(3-F-octylpropyl)-6-ammoniohexanoate 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:

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoic acid (34598-33-9) → N,N-dimethyl, N-(3-F-octyl propyl)-4-ammoniohexanoate (145441-35-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 95 percent / SOCl₂ / Heating

2: 92 percent / diethyl ether / 2 h / Heating

3: 82 percent / LiAlH₄ / diethyl ether / 48 h / Ambient temperature

4: 2.) Amberlite (OH^- form) / 1.) chloroform, reflux, 8 days, 2.) water, methanol

With lithium aluminium tetrahydride; thionyl chloride; Amberlite (OH^- form); In diethyl ether;

DOI:10.1016/0223-5234(92)90020-2

Reference yield:

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoylchloride (89373-67-1) → N,N-dimethyl, N-(3-F-octyl propyl)-4-ammoniohexanoate (145441-35-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 92 percent / diethyl ether / 2 h / Heating

2: 82 percent / LiAlH₄ / diethyl ether / 48 h / Ambient temperature

3: 2.) Amberlite (OH^- form) / 1.) chloroform, reflux, 8 days, 2.) water, methanol

With lithium aluminium tetrahydride; Amberlite (OH^- form); In diethyl ether;

DOI:10.1016/0223-5234(92)90020-2

Reference yield:

N,N-dimethyl 3-(F-octyl)-propanamide (148171-80-6) → N,N-dimethyl, N-(3-F-octyl propyl)-4-ammoniohexanoate (145441-35-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / LiAlH₄ / diethyl ether / 48 h / Ambient temperature

2: 2.) Amberlite (OH^- form) / 1.) chloroform, reflux, 8 days, 2.) water, methanol

With lithium aluminium tetrahydride; Amberlite (OH^- form); In diethyl ether;

DOI:10.1016/0223-5234(92)90020-2

upstream raw materials:

6-bromo-hexanoic acid ethyl ester

Dimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-undecyl)amine

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoic acid

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