Stearoylcholine iodide

Base Information

• Chemical Name: Stearoylcholine iodide
• CAS No.: 24902-45-2
• Molecular Formula: C23H48 N O2 . I
• Molecular Weight: 497.544
• Hs Code.: 2923900090
• DSSTox Substance ID: DTXSID30441942
• Mol file: 24902-45-2.mol

Synonyms:STEAROYLCHOLINE IODIDE;24902-45-2;Choline, iodide, stearate;SCHEMBL9630551;DTXSID30441942;N,N,N-Trimethyl-2-(octadecanoyloxy)ethan-1-aminium iodide;Ethanaminium, N,N,N-trimethyl-2-[(1-oxooctadecyl)oxy]-, iodide

Chemical Property of Stearoylcholine iodide

Chemical Property:

• PSA: 26.30000
• LogP: 3.50130
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 20
• Exact Mass: 497.27298
• Heavy Atom Count: 27
• Complexity: 310

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C.[I-]

Technology Process of Stearoylcholine iodide

There total 5 articles about Stearoylcholine iodide 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: 93.0%

Stearinsaeure-2-(dimethylamino)ethylester (39840-30-7) + methyl iodide (74-88-4) → O-stearoylcholine Iodide (24902-45-2)

Guidance literature:

In acetonitrile; for 0.25h; Heating;

Reference yield:

stearic acid (57-11-4) → O-stearoylcholine Iodide (24902-45-2)

Guidance literature:

Multi-step reaction with 3 steps

1: oxalyl dichloride / dichloromethane / 0.08 h / 65 °C

2: acetonitrile / 0.08 h / 20 °C

3: methanol / 0.08 h / 20 °C

With oxalyl dichloride; In methanol; dichloromethane; acetonitrile;

DOI:10.1021/ac103093w

Reference yield:

Stearoyl chloride (112-76-5) → O-stearoylcholine Iodide (24902-45-2)

Guidance literature:

Multi-step reaction with 2 steps

1: acetonitrile / 0.08 h / 20 °C

2: methanol / 0.08 h / 20 °C

In methanol; acetonitrile;

DOI:10.1021/ac103093w

upstream raw materials:

Stearinsaeure-2-(dimethylamino)ethylester

methyl iodide

trimethylamine

Stearoyl chloride

Downstream raw materials:

O-stearoylcholine chloride

Refernces

• 1、 Tarafdar, Pradip K.,Reddy, S. Thirupathi,Swamy, Musti J.. "Effect of hofmeister series anions on the thermotropic phase behavior of bioactive O -acylcholines". . p. 9900 - 9909. Retrieved 2013.
• 2、 Detert,Seifert,Schunack. "Cationic amphiphiles with G-protein-stimulatory activity: Studies on the role of the basic domain in the activation process". . p. 67 - 72. Retrieved 2007/10/02.