Benzyltriethylammonium iodide

Base Information

• Chemical Name: Benzyltriethylammonium iodide
• CAS No.: 5400-94-2
• Molecular Formula: C13H22 N . I
• Molecular Weight: 319.229
• Hs Code.: 29239000
• European Community (EC) Number: 226-446-8
• NSC Number: 10409
• DSSTox Substance ID: DTXSID50968828
• Mol file: 5400-94-2.mol

Synonyms:Benzyltriethylammonium iodide;5400-94-2;N-Benzyl-N,N-diethylethanaminium iodide;benzyl(triethyl)azanium;iodide;EINECS 226-446-8;triethylbenzylammonium iodide;SCHEMBL239644;Benzyl triethyl ammonium iodide;C13H22N.I;DTXSID50968828;benzyl(triethyl)ammonium hydroiodide;NSC10409;MFCD00043178;NSC 10409;NSC-10409;AKOS015833235;CS-W013947;HY-W013231;B0446;FT-0721131;D88652;A870568

Chemical Property of Benzyltriethylammonium iodide

Chemical Property:

• Melting Point: 171 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 0.06710
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 319.07970
• Heavy Atom Count: 15
• Complexity: 135

Purity/Quality:

98%,99%, ^*data from raw suppliers

Benzyltriethylammonium Iodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/38-36/37/38-20/21/22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzyltriethylammonium iodide

There total 7 articles about Benzyltriethylammonium 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: 95.0%

N-benzyl-N,N,N-triethylammonium chloride (56-37-1) → triethylbenzylammonium iodide (5400-94-2)

Guidance literature:

With trimethylsilyl iodide; In acetonitrile; for 0.5h; Heating;

Reference yield: 89.0%

1-iodo-butane (542-69-8) → tetrabutylphosphonium iodide + triethylbenzylammonium iodide (5400-94-2)

Guidance literature:

With phosphorus; potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In water; toluene; at 93 - 96 ℃; for 7h;

Reference yield:

triethylamine (121-44-8) + iodomethylbenzene (620-05-3) → triethylbenzylammonium iodide (5400-94-2)

Guidance literature:

In butanone; Heating;

DOI:10.1016/S0022-2860(00)00774-2

upstream raw materials:

benzyl bromide

triethylamine

ethyl iodide

diethylamine

Downstream raw materials:

hydrogen difluoride

benzyltriethylammonium cyanate

Refernces

• 1、 Gusarova, N. K.,Malysheva, S. F.,Rakhmatulina, T. N.,Dmitriev, V. I.,Shaikhudinova, S. I.,et al.. "REACTIONS OF RED PHOSPHORUS WITH ELECTROPHILES IN "SUPERBASIC" SYSTEMS. II. SYNTHESIS OF TRIORGANOPHOSPHINE OXIDES FROM RED PHOSPHORUS AND ORGANIC HALIDES". . p. 725 - 729. Retrieved 2007/10/02.