(6-Bromohexyl)trimethylammonium Bromide

Base Information

• Chemical Name: (6-Bromohexyl)trimethylammonium Bromide
• CAS No.: 32765-81-4
• Molecular Formula: C9H21BrN.Br
• Molecular Weight: 303.08
• Hs Code.: 2923900090
• European Community (EC) Number: 608-782-0
• DSSTox Substance ID: DTXSID60431912
• Mol file: 32765-81-4.mol

Synonyms:32765-81-4;1-Bromo-6-(trimethylammonium)hexyl Bromide;(6-Bromohexyl)trimethylammonium Bromide;6-bromohexyl(trimethyl)azanium;bromide;Ammonium, (6-bromohexyl)trimethyl-, bromide;6-bromo-N,N,N-trimethylhexan-1-aminium bromide;EC 608-782-0;Bromoquat;SCHEMBL281660;Bromohexyltrimethylaminium bromide;DTXSID60431912;KNKBZYUINRTEOG-UHFFFAOYSA-M;6-bromohexyltrimethylammonium bromide;MFCD00545103;AKOS040768069;6-bromohexyl(trimethyl)ammonium;(6-Bromohexyl)Trimethyl Ammonium Bromide;FT-0663885;1-bromo-6-(trimethylammonium)hexyl bromide

Chemical Property of (6-Bromohexyl)trimethylammonium Bromide

Chemical Property:

• Melting Point: 98-100 °C
• PSA: 0.00000
• LogP: -0.34810
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 303.00203
• Heavy Atom Count: 12
• Complexity: 86.1

Purity/Quality:

99.9% ^*data from raw suppliers

1-Bromo-6-(trimethylammonium)hexylBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CCCCCCBr.[Br-]
• Uses: An impurity found in Colesevelam.

Technology Process of (6-Bromohexyl)trimethylammonium Bromide

There total 3 articles about (6-Bromohexyl)trimethylammonium 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: 78.0%

1 ,6-dibromohexane (629-03-8) + trimethylamine (75-50-3) → (6-bromohexyl)-trimethylammonium bromide (32765-81-4)

Guidance literature:

In tetrahydrofuran; for 24h; Ambient temperature;

DOI:10.1080/00397919908086244

Reference yield:

6-amino-1-bromo-n-hexane (26342-09-6) + carbonic acid dimethyl ester (616-38-6) → (6-bromohexyl)-trimethylammonium bromide (32765-81-4)

Guidance literature:

6-amino-1-bromo-n-hexane; carbonic acid dimethyl ester; In ethanol; toluene; at 55 ℃; for 3h; under 7500.75 Torr;

With hydrogen bromide; In ethanol; toluene; at 20 ℃; Solvent; Temperature; Pressure;

Reference yield:

1 ,6-dibromohexane (629-03-8) → (6-bromohexyl)-trimethylammonium bromide (32765-81-4)

Guidance literature:

With trimethylamine; In tetrahydrofuran;

upstream raw materials:

1 ,6-dibromohexane

trimethylamine

6-amino-1-bromo-n-hexane

carbonic acid dimethyl ester

Downstream raw materials:

allylammonium chloride

Refernces

• 1、 -. "Preparation method of 6-bromohexyltrimethyl ammonium bromide". Paragraph 0039-0069. . Retrieved 2020/09/12.
• 2、 Bartsch, Richard A.,Zhao, Wenyi,Zhang, Zhi-Yi. "Facile synthesis of (ω-bromoalkyl)trimethylammonium bromides". . p. 2393 - 2398. Retrieved 2007/10/03.