Phenethyltrimethylammonium bromide

Base Information

• Chemical Name: Phenethyltrimethylammonium bromide
• CAS No.: 6068-85-5
• Molecular Formula: C11H18BrN
• Molecular Weight: 244.175
• European Community (EC) Number: 252-844-6
• DSSTox Substance ID: DTXSID30957452
• Mol file: 6068-85-5.mol

Synonyms:Phenethyltrimethylammonium bromide;Trimethylphenethylammonium bromide;Ammonium, trimethylphenethyl-, bromide;beta-Phenylethyl-trimethylammonium bromide;N,N,N-Trimethylbenzeneethanaminium bromide;6068-85-5;AMMONIUM, PHENETHYLTRIMETHYL-, BROMIDE;Benzeneethanaminium, N,N,N-trimethyl-, bromide;EINECS 252-844-6;36043-87-5;alpha-Phenylethyl-trimethylammonium bromide;AMMONIUM, alpha-PHENYLETHYLTRIMETHYL-, BROMIDE;SCHEMBL11788520;DTXSID30957452;LS-18838;LS-18905;N,N,N-Trimethyl-2-phenylethan-1-aminium bromide

Chemical Property of Phenethyltrimethylammonium bromide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 243.06226
• Heavy Atom Count: 13
• Complexity: 118

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CCC1=CC=CC=C1.[Br-]

Technology Process of Phenethyltrimethylammonium bromide

There total 3 articles about Phenethyltrimethylammonium bromide 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:

1-phenyl-2-bromoethane (103-63-9) + trimethylamine (75-50-3) → (2-Phenylethyl)trimethylammonium bromide (6068-85-5)

Guidance literature:

DOI:10.1021/jm00338a005

Reference yield:

methyl bromide (74-83-9) + N,N-dimethylphenethylamine (1126-71-2) → (2-Phenylethyl)trimethylammonium bromide (6068-85-5)

Guidance literature:

In dichloromethane;

Reference yield:

→ (2-Phenylethyl)trimethylammonium bromide (6068-85-5)

Guidance literature:

Aus Dimethyl-2-phenyl-ethylamin u. Methylbromid;

DOI:10.1021/ja01009a017

upstream raw materials:

1-phenyl-2-bromoethane

trimethylamine

methyl bromide

N,N-dimethylphenethylamine

Downstream raw materials:

styrene

trimethylamine

Refernces

• 1、 Riddell, Frank G.,Rogerson, Martin. "Further studies of intramolecular motions in crystalline ammonium bromides by CP/MAS NMR". . p. 249 - 255. Retrieved 2007/10/03.