Benzyltrimethylammonium tetrachloroiodate

Base Information

• Chemical Name: Benzyltrimethylammonium tetrachloroiodate
• CAS No.: 121309-88-4
• Molecular Formula: C10H16Cl4IN
• Molecular Weight: 418.96
• Hs Code.: 29239000
• European Community (EC) Number: 628-960-1
• DSSTox Substance ID: DTXSID20456000
• Mol file: 121309-88-4.mol

Synonyms:Benzyltrimethylammonium tetrachloroiodate;121309-88-4;SCHEMBL60416;DTXSID20456000;IBXYFQYYVRYALP-UHFFFAOYSA-N;Benzyltrimethylammonium Tetrachloroiodate [Chlorinating Reagent];MFCD00191607;AKOS015910796;BS-52909;B1543;FT-0701392;>95%;D88825;J-004478;Benzyltrimethylammonium tetrachloroiodate, >=98.0% (AT)

Chemical Property of Benzyltrimethylammonium tetrachloroiodate

Chemical Property:

• Melting Point: 106-125 °C
• PSA: 0.00000
• LogP: 1.65480
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 418.90521
• Heavy Atom Count: 16
• Complexity: 126

Purity/Quality:

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

Benzyltrimethylammonium tetrachloroiodate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzyltrimethylammonium tetrachloroiodate

There total 2 articles about Benzyltrimethylammonium tetrachloroiodate 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%

benzyltrimethylammonium chloride (56-93-9) → benzyltrimethylazanium tetrachloro-λ3-iodanuide (121309-88-4)

Guidance literature:

With iodine trichloride; In dichloromethane; for 0.5h; Ambient temperature;

DOI:10.1016/S0040-4039(00)82191-7

Reference yield: 95.0%

N,N,N-trimethylbenzenemethanaminium dichloroiodate (114971-52-7) → benzyltrimethylazanium tetrachloro-λ3-iodanuide (121309-88-4)

Guidance literature:

With chlorine; In dichloromethane; for 0.5h;

DOI:10.1016/S0040-4039(00)82191-7

Reference yield: 76.2%

benzyltrimethylazanium tetrachloro-λ3-iodanuide (121309-88-4) + acetophenone (98-86-2) → 1-chloroacetophenone (532-27-4,108321-66-0,164322-25-2)

Guidance literature:

In 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran;

upstream raw materials:

benzyltrimethylammonium chloride

N,N,N-trimethylbenzenemethanaminium dichloroiodate

Downstream raw materials:

benzylidene dichloride

N,N,N-trimethylbenzenemethanaminium dichloroiodate

benzyl chloride

1-chloroacetophenone

Refernces

• 1、 Kajigaeshi, Shoji,Kakinami, Takaaki,Moriwaki, Masayuki,Tanaka, Toshio,Fujisaki, Shizuo. "AN EFFECTIVE CHLORINATING AGENT BENZYLTRIMETHYLAMMONIUM TETRACHLOROIODATE, BENZYLIC CHLORINATION OF ALKYLAROMATIC COMPOUNDS". . p. 5783 - 5786. Retrieved 2007/10/02.