(4-Ethenylphenyl)methyl-dimethylazanium

Base Information

• Chemical Name: (4-Ethenylphenyl)methyl-dimethylazanium
• CAS No.: 2245-52-5
• Molecular Formula: C11H15 N
• Molecular Weight: 161.247
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID90427045
• Wikidata: Q72516338
• Mol file: 2245-52-5.mol

Synonyms:(4-ethenylphenyl)methyl-dimethylazanium;ZINC02555296;DTXSID90427045

Chemical Property of (4-Ethenylphenyl)methyl-dimethylazanium

Chemical Property:

• Vapor Pressure: 0.134mmHg at 25°C
• Refractive Index: 1.5380
• Boiling Point: 217.3°Cat760mmHg
• PKA: 8.82±0.28(Predicted)
• Flash Point: 77.3°C
• PSA: 3.24000
• Density: g/cm³
• LogP: 2.39120
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 162.128274515
• Heavy Atom Count: 12
• Complexity: 132

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[NH+](C)CC1=CC=C(C=C1)C=C

Technology Process of (4-Ethenylphenyl)methyl-dimethylazanium

There total 7 articles about (4-Ethenylphenyl)methyl-dimethylazanium 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: 100.0%

2,6-dinitrophenol (573-56-8) → 2,6-diaminophenol (22440-82-0)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol;

Reference yield: 90.0%

4-Vinylbenzyl chloride (1592-20-7,29296-32-0) + dimethyl amine (124-40-3) → N,N-dimethyl-1-(4-vinylphenyl)-methanamine (2245-52-5)

Guidance literature:

With potassium carbonate; In ethanol; at 50 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ma4002116

Reference yield: 59.0%

N,N'-(2-hydroxy-1,3-phenylene)bis(2-methyl-3-oxohexanamide) → 2,6-diaminophenol (22440-82-0) + C13H16N2O2

Guidance literature:

With trifluorormethanesulfonic acid; at 50 ℃;

DOI:10.1055/s-0036-1589134

upstream raw materials:

2,6-dinitrophenol

hydrogenchloride

4-Vinylbenzyl chloride

dimethyl amine

Downstream raw materials:

2-[E-2-(4-dimethylaminomethylphenyl)ethen-1-yl]benzoic acid methyl ester

(E-2 (4(N,N-Dimethylaminomethyl)phenyl)-ethen-1-yl)-benzoic acid ethyl ester

4-vinylbenzyldimethylammonio propanesulfonate

4-vinylbenzyldimethylammonio butanesulfonate

Refernces

• 1、 Zhao, Jing,Pan, Zehao,Snyder, Deborah,Stone, Howard A.,Emrick, Todd. "Chemically Triggered Coalescence and Reactivity of Droplet Fibers". supporting information. p. 5558 - 5564. Retrieved 2021/05/04.
• 2、 -. "Modifier, modified and conjugated diene-based polymer and methods for preparing them". Page/Page column 18. . Retrieved 2019/11/11.