Benzyltrimethylammonium fluoride

Base Information

• Chemical Name: Benzyltrimethylammonium fluoride
• CAS No.: 329-97-5
• Molecular Formula: C10H16FN
• Molecular Weight: 169.242
• Hs Code.: 2923900090
• European Community (EC) Number: 620-981-4
• UNII: J9C8NF6S7J
• DSSTox Substance ID: DTXSID401026954
• Wikipedia: Benzyltrimethylammonium_fluoride
• Mol file: 329-97-5.mol

Synonyms:BENZYLTRIMETHYLAMMONIUM FLUORIDE;329-97-5;benzyl(trimethyl)azanium;fluoride;J9C8NF6S7J;Benzyl trimethyl ammonium fluoride;Benzenemethanaminium, N,N,N-trimethyl-, fluoride;UNII-J9C8NF6S7J;SCHEMBL238440;benzyl trimethylammonium fluoride;KFSZGBHNIHLIAA-UHFFFAOYSA-M;DTXSID401026954;AKOS024319558;N,N,N-Trimethyl(phenyl)methanaminium fluoride;BENZYLTRIMETHYLAMMONIUMFLUORIDEMONOHYDRATE;J-005507

Chemical Property of Benzyltrimethylammonium fluoride

Chemical Property:

• PSA: 0.00000
• LogP: -1.10320
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 169.126677677
• Heavy Atom Count: 12
• Complexity: 107

Purity/Quality:

99% ^*data from raw suppliers

BENZYLTRIMETHYLAMMONIUM FLUORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzyltrimethylammonium fluoride

There total 1 articles about Benzyltrimethylammonium fluoride 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:

N-benzyl-trimethylammonium hydroxide (100-85-6) → trimethyl(benzyl)ammonium fluoride (329-97-5)

Guidance literature:

With hydrogen fluoride;

DOI:10.1021/ja00368a018

Reference yield: 100.0%

lithium borohydride + trimethyl(benzyl)ammonium fluoride (329-97-5) → benzyltrimethylammonium tetrahydroborate

Guidance literature:

In water; stoichiometric amts. of educts; evapn. of H2O in vac.; purity of 89%;

Reference yield: 91.0%

1,2-dimethyl-1,2-dicarba-closododecaborane (17032-21-2) + trimethyl(benzyl)ammonium fluoride (329-97-5) → (CH3)3C6H5CH2N(1+)*C2B9H10(CH3)2(1-)=[(CH3)3C6H5CH2N]C2B9H10(CH3)2

Guidance literature:

In tetrahydrofuran; reflux (3 h); dichloromethane addn., washing (water, three times), layers sepn., dichloromethane layer drying (MgSO4), solvent evapn., recrystn. (ethanol); elem. anal.;

DOI:10.1016/0277-5387(95)00297-6

upstream raw materials:

N-benzyl-trimethylammonium hydroxide

Downstream raw materials:

2-hydroxy-4-morpholin-4-yl-thiobenzamide

Refernces