4-Benzoyl-N,N,N-trimethylanilinium iodide

Base Information

• Chemical Name: 4-Benzoyl-N,N,N-trimethylanilinium iodide
• CAS No.: 31688-74-1
• Molecular Formula: C16H18 N O . I
• Molecular Weight: 367.23
• DSSTox Substance ID: DTXSID60585565
• NSC Number: 176000
• Mol file: 31688-74-1.mol

Synonyms:31688-74-1;4-Benzoyl-N,N,N-trimethylanilinium iodide;SCHEMBL6847918;DTXSID60585565;NSC176000;AKOS001036331;NSC-176000;(4-benzoylphenyl)-trimethylazanium;iodide;4-Benzoyl-N,N,N-trimethylbenzenaminiumiodide;4-Benzoyl-N,N,N-trimethylbenzenaminium iodide;N,N,N-trimethyl-4-(phenylcarbonyl)benzenaminium iodide;Z56785093

Chemical Property of 4-Benzoyl-N,N,N-trimethylanilinium iodide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 367.04331
• Heavy Atom Count: 19
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2.[I-]

Technology Process of 4-Benzoyl-N,N,N-trimethylanilinium iodide

There total 5 articles about 4-Benzoyl-N,N,N-trimethylanilinium 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: 91.0%

4-(Dimethylamino)benzophenone (530-44-9) + methyl iodide (74-88-4) → p-PhC(O)C6H4NMe3(+)*I(-) (31688-74-1)

Guidance literature:

In N,N-dimethyl-formamide; at 50 ℃; for 24h; Inert atmosphere;

DOI:10.1002/anie.201100683

Reference yield:

(4-aminophenyl)(phenyl)methanone (1137-41-3,444317-48-0) + methyl iodide (74-88-4) → p-PhC(O)C6H4NMe3(+)*I(-) (31688-74-1)

Guidance literature:

With methanol; at 100 ℃; im Druckrohr;

Reference yield:

aniline (62-53-3) → p-PhC(O)C6H4NMe3(+)*I(-) (31688-74-1)

Guidance literature:

Multi-step reaction with 3 steps

2: zinc chloride / 180 °C / Kochen des Produkts mit alkoh. Kali

3: methanol / 100 °C / im Druckrohr

With methanol; zinc(II) chloride;

upstream raw materials:

(4-aminophenyl)(phenyl)methanone

methyl iodide

4-(Dimethylamino)benzophenone

N-phenylphthalimide

Downstream raw materials:

4-(Dimethylamino)benzophenone

methyl iodide

4-benzoyl-4'-methylbiphenyl

(4-benzylphenyl)(phenyl)methanone