Benzyltrimethylammonium dichloroiodate

Base Information

• Chemical Name: Benzyltrimethylammonium dichloroiodate
• CAS No.: 114971-52-7
• Molecular Formula: C10H16Cl2IN
• Molecular Weight: 348.054
• Hs Code.: 29239000
• European Community (EC) Number: 601-338-7
• Mol file: 114971-52-7.mol

Synonyms:Benzyltrimethylammonium dichloroiodate;114971-52-7;Benzyltrimethylammonium dichloroiodide;BTMA-ICl2;MFCD00075259;benzyl trimethylammonium dichloroiodate;Trimethylbenzylammonium Dichloroiodate;SCHEMBL240679;PPDJNZTUDFPAHX-UHFFFAOYSA-N;CS-D1532;Benzenemethanaminium, N,N,N-trimethyl-, dichloroiodate(1-) (1:1);AKOS005259691;DS-16714;HY-41685;SY011391;Benzyltrimethylammonium dichloroiodate, 97%;B1604;FT-0622868;J-003163;Benzenemethanaminium, N,N,N-trimethyl-, dichloroiodate(1-)

Chemical Property of Benzyltrimethylammonium dichloroiodate

Chemical Property:

• Appearance/Colour: yellow to light brown cryst. powder or flakes
• Melting Point: 124-126 °C (lit.)
• PSA: 0.00000
• Density: 1.5154 (estimate)
• LogP: 0.27580
• Storage Temp.: Store at 0-5°C
• Sensitive.: Light Sensitive & Hygroscopic
• Solubility.: DMSO (Sparingly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 346.97045
• Heavy Atom Count: 14
• Complexity: 109

Purity/Quality:

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

Benzyltrimethylammonium dichloroiodate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CC1=CC=CC=C1.Cl[I-]Cl
• Uses: Benzyltrimethylammonium dichloroiodate is used in the mechanism of oxidation.

Technology Process of Benzyltrimethylammonium dichloroiodate

There total 3 articles about Benzyltrimethylammonium dichloroiodate 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) → N,N,N-trimethylbenzenemethanaminium dichloroiodate (114971-52-7)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; iodine; In water; acetonitrile; at 20 ℃; Cooling with ice;

DOI:10.1016/j.tetlet.2012.08.036

Reference yield: 65.0%

benzyltrimethylazanium tetrachloro-λ3-iodanuide (121309-88-4) + toluene (108-88-3,15644-74-3,16713-13-6) → benzylidene dichloride (98-87-3) + N,N,N-trimethylbenzenemethanaminium dichloroiodate (114971-52-7) + benzyl chloride (100-44-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 4h; Product distribution; Heating; var. alkylaromatic compounds.;

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

Reference yield:

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

Guidance literature:

at 106 - 125 ℃; Product distribution;

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

upstream raw materials:

benzyltrimethylammonium chloride

benzyltrimethylazanium tetrachloro-λ³-iodanuide

toluene

Downstream raw materials:

5-chloro-2-iodo-4-methylaniline

(S)-methyl 2-(tert-butoxycarbonylamino)-3-(3-iodo-4-methoxy-5-nitrophenyl)propanoate

7-Fluoro-6-(4-iodo-2-methyl-phenylamino)-1H-benzoimidazole-5-carboxylic acid methyl ester

7-benzyloxy-5-(2-chloro-acetyl)-1H-quinolin-2-one

Refernces

• 1、 Bedra?, Leon,Iskra, Jernej. "Dihaloiodates(I): Synthesis with hydrogen peroxide and their halogenating activity". supporting information. p. 5555 - 5558. Retrieved 2012/11/13.
• 2、 Kajigaeshi, Shoji,Kakinami, Takaaki,Moriwaki, Masayuki,Fujisaki, Shizuo,Maeno, Kimihiro,Okamoto, Tsuyoshi. "α-Chlorination of Aromatic Acetyl Derivatives with Benzyltrimethylammonium Dichloroiodate". . p. 545 - 546. Retrieved 2007/10/02.