2-Hydroxy-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate

Base Information

• Chemical Name: 2-Hydroxy-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate
• CAS No.: 55357-38-5
• Molecular Formula: C5H14NO^.C7H7O3S;C12H21NO4S
• Molecular Weight: 275.369
• Hs Code.: 2923900090
• Mol file: 55357-38-5.mol

Synonyms:Choline tosylate;55357-38-5;2-Hydroxy-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate;MFCD00079051;2-hydroxyethyl(trimethyl)azanium;4-methylbenzenesulfonate;choline p-toluenesulfonate;choline p-toluenesulfonate salt;Choline Toluenesulfonate;SCHEMBL506429;AMY13769;AKOS015895068;Choline p-toluenesulfonate salt, ~99%;BS-17581;SY046622;CS-0153045;FT-0640304;D70941;(2-Hydroxyethyl)trimethylammonium p-toluenesulfonate;(2-Hydroxyethyl)trimethylammonium toluene-4-sulphonate;4-Methylbenzenesulfonate 2-Hydroxy-N,N,N-trimethylethanaminium;2-Hydroxy-N,N,N-trimethylethan-1-aminium 4-methylbenzenesulfonate

Chemical Property of 2-Hydroxy-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate

Chemical Property:

• Melting Point: 95 ºC
• PSA: 85.81000
• LogP: 1.66480
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Light Sensitive/Hygroscopic
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 275.11912932
• Heavy Atom Count: 18
• Complexity: 240

Purity/Quality:

99%, ^*data from raw suppliers

Cholinep-ToluenesulfonateSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CCO
• Uses: Choline p-Toluenesulfonate Salt is a useful intermediate as well as a choline acetyltransferase (CHAT) substrate.

Technology Process of 2-Hydroxy-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate

There total 2 articles about 2-Hydroxy-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate 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-(N,N-dimethylamino)ethanol (108-01-0) + methyl p-toluene sulfonate (80-48-8) → choline tosylate (55357-38-5)

Guidance literature:

In toluene; 1.) 100 deg C, 1 h, 2.) 20 deg C, 20 h;

DOI:10.1007/BF02495607

Reference yield:

→ choline tosylate (55357-38-5)

Guidance literature:

With sodium hydroxide; In ethanol; at 40 ℃; for 4h;

In ethanol; at 0 - 75 ℃; for 5.5h;

Reference yield: 88.0%

choline tosylate (55357-38-5) + C11H16N2OS2 → C13H26NO2S2(1+)*C7H7O3S(1-)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetone; acetonitrile; at 25 ℃; for 27h;

upstream raw materials:

2-(N,N-dimethylamino)ethanol

methyl p-toluene sulfonate

Downstream raw materials:

distearoylphosphatidylcholine

Rac_. 1-O-Hexadecyl-2-O-benzylglycero-3-phosphocholin

1,2-di-O-hexadecyl-3-O-<<2-(trimethylamino)ethyl>phosphoryl>-rac-glycerol

C₂₉H₃₉N₂O₅P

Refernces

• 1、 -. "PHARMACEUTICAL COMPOSITIONS OF LIPOIC ACID CHOLINE ESTER SALTS AND METHODS OF TREATMENT USING SAME". Page/Page column 71-72. . Retrieved 2021/09/17.
• 2、 -. "Environment-friendly choline ionic liquid and preparation method therefor". Paragraph 0031; 0032; 0033; 0034; 0035; 0036. . Retrieved 2016/10/20.