N-Benzyl-N,N,N-trimethylammonium hexafluorophosphate

Base Information

• Chemical Name: N-Benzyl-N,N,N-trimethylammonium hexafluorophosphate
• CAS No.: 6427-70-9
• Molecular Formula: C10H16F6NP
• Molecular Weight: 295.208
• Hs Code.: 2835299000
• NSC Number: 404042,163087
• DSSTox Substance ID: DTXSID50214493
• Mol file: 6427-70-9.mol

Synonyms:6427-70-9;N-Benzyl-N,N,N-trimethylammonium hexafluorophosphate;BENZYLTRIMETHYLAMMONIUM HEXAFLUOROPHOSPHATE;NSC 163087;NSC 404042;Benzyl trimethylammonium hexafluorophosphate;AI3-16952;benzyl(trimethyl)azanium;hexafluorophosphate;AMMONIUM, BENZYLTRIMETHYL-, HEXAFLUOROPHOSPHATE(1-);Ammonium, (benzyltrimethyl)-, hexafluorophosphate(1-);Benzenemethanaminium, N,N,N-trimethyl-, hexafluorophosphate(1-);Ammonium, hexafluorophosphate(1-);N-Benzyl-N,N-trimethylammonium hexafluorophosphate;Benzenemethanaminium,N,N-trimethyl-, hexafluorophosphate(1-);C10H16F6NP;DTXSID50214493;C10-H16-N.F6-P;NSC163087;NSC404042;NSC-163087;NSC-404042;LS-16858;BENZYL TRIMETHYLAMMONIUM HEXAFLUOROPHOSPHATE;N,N,N-trimethyl-1-phenylmethanaminium hexafluorophosphate(V);Benzenemethanaminium, N,N,N,N,N-pentamethyl-, hexafluorophosphate(1-) (1:1)

Chemical Property of N-Benzyl-N,N,N-trimethylammonium hexafluorophosphate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 13.59000
• Density: g/cm³
• LogP: 5.27520
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 295.09245548
• Heavy Atom Count: 18
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

BenzyltrimethylammoniumHexafluorophosphate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CC1=CC=CC=C1.F[P-](F)(F)(F)(F)F

Technology Process of N-Benzyl-N,N,N-trimethylammonium hexafluorophosphate

There total 2 articles about N-Benzyl-N,N,N-trimethylammonium hexafluorophosphate 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: 40.0%

N,N,N-trimethylanilinium bromide (16056-11-4) → benzyltrimethylammonium hexafluorophosphate (6427-70-9)

Guidance literature:

With ammonium hexafluorophosphate; In water; acetone; for 4h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.0c01864

Reference yield:

trimethylbenzylammonium bromide (5350-41-4) → benzyltrimethylammonium hexafluorophosphate (6427-70-9)

Guidance literature:

With potassium hexafluorophosphate;

DOI:10.1021/j150655a037

Reference yield:

benzyltrimethylammonium hexafluorophosphate (6427-70-9) → N,N-dimethylmethyleneammonium ion (28149-27-1,503831-42-3) + 1,1'-(1,2-ethanediyl)bisbenzene (103-29-7) + toluene (108-88-3,15644-74-3,16713-13-6) + trimethylamine (75-50-3)

Guidance literature:

In [D₃]acetonitrile; for 0.333333h; Irradiation;

DOI:10.1016/S0040-4039(00)87001-X

upstream raw materials:

trimethylbenzylammonium bromide

N,N,N-trimethylanilinium bromide

Downstream raw materials:

ethoxy-N,N-dimethylaminomethane

bis-trideuteriomethoxy-methane

1,1'-(1,2-ethanediyl)bisbenzene

toluene

Refernces

• 1、 Yamamoto, Yukio,Nishida, Shoichi,Yabe, Katsuyoshi,Hayashi, Koichiro,Takeda,Seishi,Tsumori, Kunihiko. "Effects of Quaternary Ammonium Salts on Reactions of Aromatic radical Anions Formed in Tetrahydrofuran by Pulse Radiolysis". . p. 2368 - 2372. Retrieved 2007/10/02.