Acetylthiocholine iodide

Base Information

• Chemical Name: Acetylthiocholine iodide
• CAS No.: 1866-15-5
• Molecular Formula: C7H16INOS
• Molecular Weight: 289.181
• Hs Code.: 29309099
• European Community (EC) Number: 217-474-1
• NSC Number: 44139
• UNII: 6SKH6P4YRN
• DSSTox Substance ID: DTXSID50883764
• Mol file: 1866-15-5.mol

Synonyms:acetylthiocholine iodide

Chemical Property of Acetylthiocholine iodide

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 205-210 °C(lit.)
• PSA: 42.37000
• Density: 1.4885 (estimate)
• LogP: -2.02370
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive & Hygroscopic
• Solubility.: H2O: 100 mg/mL
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 288.99973
• Heavy Atom Count: 11
• Complexity: 117

Purity/Quality:

99% ^*data from raw suppliers

S-Acetylthiocholine iodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, Xi
• Hazard Codes: T,Xi
• Statements: 21-25-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)SCC[N+](C)(C)C.[I-]
• Uses: A nAChR agonist and substrate of acetylcholinesterase Acetylthiocholine iodide has been used as a substrate in the preparation of acetylcholine esterase (AChE) assay working solution for AChE activity assay. It has also been used as a component in phosphate buffer (PB) for cholinesterase assay. Substrate for the colorimetric determination of acetylcholinesterase activity.

Technology Process of Acetylthiocholine iodide

There total 2 articles about Acetylthiocholine 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: 95.0%

2-acetylthioethyl iodide (155187-01-2) + trimethylamine (75-50-3) → acetylthiocholine iodide (1866-15-5)

Guidance literature:

In methanol; tert-butyl methyl ether; at 20 ℃; for 8h;

Reference yield:

2-(N,N-dimethylamino)ethyl thioacetate (18719-14-7,98278-07-0) + methyl iodide (74-88-4) → acetylthiocholine iodide (1866-15-5)

Guidance literature:

DOI:10.1021/ja01275a015

Reference yield: 80.0%

acetylthiocholine iodide (1866-15-5) → β-mercaptoethyltrimethylammonium iodide (7161-73-1)

Guidance literature:

With hydrogenchloride; water; In ethanol; for 7h; Reflux;

DOI:10.1021/ol9016723

upstream raw materials:

2-acetylthioethyl iodide

trimethylamine

2-(N,N-dimethylamino)ethyl thioacetate

methyl iodide

Downstream raw materials:

citric acid

O-acetyl-L-carnitine hydrochloride

β-mercaptoethyltrimethylammonium iodide

thiocholine

Refernces

• 1、 -. "Acetylthiocholine iodide as well as preparation method and application thereof". Paragraph 0065; 0068-0074; 0077-0083; 0086-0092; 0095-0101;. . Retrieved 2019/07/01.