Benzyltrimethylammonium iodide

Base Information

• Chemical Name: Benzyltrimethylammonium iodide
• CAS No.: 4525-46-6
• Molecular Formula: C10H16 N . I
• Molecular Weight: 277.148
• Hs Code.: 29239000
• European Community (EC) Number: 224-861-9
• NSC Number: 31974
• DSSTox Substance ID: DTXSID60884085
• Mol file: 4525-46-6.mol

Synonyms:benzyltrimethylammonium;benzyltrimethylammonium acetate;benzyltrimethylammonium bromide;benzyltrimethylammonium butanoate;benzyltrimethylammonium carbonate (2:1);benzyltrimethylammonium chloride;benzyltrimethylammonium formate;benzyltrimethylammonium heptanoate;benzyltrimethylammonium hexafluorophosphate (1-);benzyltrimethylammonium hexanoate;benzyltrimethylammonium hydroxide;benzyltrimethylammonium iodide;benzyltrimethylammonium methoxide;benzyltrimethylammonium nonanoate;benzyltrimethylammonium octanoate;benzyltrimethylammonium pentanoate;benzyltrimethylammonium propanoate

Chemical Property of Benzyltrimethylammonium iodide

Chemical Property:

• Melting Point: 178-179oC
• PSA: 0.00000
• LogP: -1.10320
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive & Hygroscopic
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 277.03275
• Heavy Atom Count: 12
• Complexity: 107

Purity/Quality:

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

N,N,N-Trimethyl-1-phenylmethanaminiumiodide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzyltrimethylammonium iodide

There total 11 articles about Benzyltrimethylammonium 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: 96.0%

N,N'-dimethylbenzylamine (103-83-3) + methyl iodide (74-88-4) → benzyltrimethylammonium iodide (4525-46-6)

Guidance literature:

In ethyl acetate; at 20 ℃; for 1h;

DOI:10.1021/acs.joc.0c01274

Reference yield: 90.0%

benzyl bromide (100-39-0) + trimethylamine (75-50-3) → benzyltrimethylammonium iodide (4525-46-6)

Guidance literature:

With methyl iodide; at 20 ℃;

DOI:10.1002/anie.202105231

Reference yield: 61.0%

(TTP)Ir(NH2Bn)[C(O)NHBn] + methyl iodide (74-88-4) → (TTP)Ir(NH2Bn)I (1598440-82-4) + benzyltrimethylammonium iodide (4525-46-6)

Guidance literature:

In benzene-d6; at 85 ℃; for 72h; Inert atmosphere; Glovebox;

DOI:10.1021/om500189a

upstream raw materials:

benzylamine

methyl iodide

N,N'-dimethylbenzylamine

benzaldehyde

Downstream raw materials:

N,N-dimethyl(2-methylbenzyl)amine

trimethylammonium iodide

1,1'-(1,2-ethanediyl)bisbenzene

toluene

Refernces

• 1、 Zhu, Haibo,Zhang, Yingying,Liu, Yishuai,Yang, Liu,Xie, Zongbo,Jiang, Guofang,Le, Zhang-Gao. "A general and practical sulfonylation of benzylic ammonium salts with sulfonyl hydrazides for the synthesis of sulfones". supporting information. . Retrieved 2020/05/06.
• 2、 Dairo, Taiwo O.,Ellern, Arkady,Angelici, Robert J.,Woo, L. Keith. "Addition of amines to a carbonyl ligand: Syntheses, characterization, and reactivities of iridium(iii) porphyrin carbamoyl complexes". . p. 2266 - 2276. Retrieved 2014/06/09.