(3-Hydroxypropyl)trimethylammonium chloride

Base Information

• Chemical Name: (3-Hydroxypropyl)trimethylammonium chloride
• CAS No.: 6701-82-2
• Molecular Formula: C6H16 N O . Cl
• Molecular Weight: 153.652
• Hs Code.: 2923900090
• DSSTox Substance ID: DTXSID90985832
• ChEMBL ID: CHEMBL1209422
• Mol file: 6701-82-2.mol

Synonyms:6701-82-2;gamma-Homocholine chloride;(3-Hydroxypropyl)trimethylammonium chloride;3-Hydroxy-N,N,N-trimethylpropan-1-aminium chloride;CHEMBL1209422;1-Propanaminium, 3-hydroxy-N,N,N-trimethyl-, chloride;AMMONIUM, (3-HYDROXYPROPYL)TRIMETHYL-, CHLORIDE;1-Propanaminium,3-hydroxy-N,N,N-trimethyl-, chloride (1:1);starbld0011235;SCHEMBL93724;DTXSID90985832;hydroxypropyl trimethylammonium chloride;3-hydroxypropyl(trimethyl)azanium;chloride;LS-18500;Q-200846

Chemical Property of (3-Hydroxypropyl)trimethylammonium chloride

Chemical Property:

• PSA: 20.23000
• LogP: -2.92100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 153.0920418
• Heavy Atom Count: 9
• Complexity: 56

Purity/Quality:

99%, ^*data from raw suppliers

(3-Hydroxypropyl)trimethylammoniumchloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CCCO.[Cl-]

Technology Process of (3-Hydroxypropyl)trimethylammonium chloride

There total 4 articles about (3-Hydroxypropyl)trimethylammonium chloride 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: 82.0%

1-chloro-3-hydroxypropane (627-30-5) + trimethylamine (75-50-3) → N,N′,N″-trimethyl-3-hydroxypropylammonium chloride (6701-82-2)

Guidance literature:

In water; acetonitrile; at 70 ℃; for 18h; Inert atmosphere;

DOI:10.1016/j.tet.2010.07.016

Reference yield:

methanol (67-56-1) + C14H24NO2(1+)*Cl(1-) → N,N′,N″-trimethyl-3-hydroxypropylammonium chloride (6701-82-2) + bicyclo[2.2.1]hept-5-ene-2-carboxylic acid methyl ester + bicyclo[2.2.1]hept-5-ene-2-carboxylic acid methyl ester

Guidance literature:

With hydrogenchloride; In water; for 12h; Reflux;

Reference yield:

3-hydroxypropyltrimethylammonium iodide (5930-60-9) → N,N′,N″-trimethyl-3-hydroxypropylammonium chloride (6701-82-2)

Guidance literature:

With chloride;

DOI:10.1007/BF00957296

upstream raw materials:

1-chloro-3-hydroxypropane

trimethylamine

3-hydroxypropyltrimethylammonium iodide

3-Dimethylamino-1-propanol

Downstream raw materials:

3-bromo-N,N,N-trimethyl-1-propanaminium bromide

C₁₃H₁₉BrNO₂⁽¹⁺⁾*Cl^(1-)

4-Bromobenzoic acid

{3-(4-iodobenzoyloxy)propyl}trimethylammonium chloride

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