Propionylthiocholine iodide

Base Information

• Chemical Name: Propionylthiocholine iodide
• CAS No.: 1866-73-5
• Molecular Formula: C8H18INOS
• Molecular Weight: 303.208
• Hs Code.: 29309090
• European Community (EC) Number: 217-482-5
• NSC Number: 97015
• DSSTox Substance ID: DTXSID40940118
• Mol file: 1866-73-5.mol

Synonyms:propionylthiocholine;propionylthiocholine iodide

Chemical Property of Propionylthiocholine iodide

Chemical Property:

• Appearance/Colour: white to very light yellow crystalline powder
• Melting Point: 200-202 °C(lit.)
• PSA: 42.37000
• Density: 1.4391 (estimate)
• LogP: -1.63360
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 303.01538
• Heavy Atom Count: 12
• Complexity: 129

Purity/Quality:

98%,99%, ^*data from raw suppliers

Propionylthiocholine iodide ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-41
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Propionylthiocholine iodide

There total 2 articles about Propionylthiocholine 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:

thiopropionic acid S-(2-dimethylamino-ethyl ester) (24395-12-8) + methyl iodide (74-88-4) → propionylthiocholine iodide (1866-73-5)

Guidance literature:

With diethyl ether;

Reference yield:

captamine (108-02-1) + propionyl chloride (79-03-8) + methyl iodide (74-88-4) → propionylthiocholine iodide (1866-73-5)

Guidance literature:

Multistep reaction; (i) NaH, benzene, (ii) /BRN= 385632/, (iii) /BRN= 969135/;

DOI:10.1002/jps.2600580608

Reference yield:

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

Guidance literature:

With acetylcholinesterase from Bactrocera dorsalis (Hendel); water; Enzyme kinetics;

DOI:10.1021/jf0494377

upstream raw materials:

thiopropionic acid S-(2-dimethylamino-ethyl ester)

methyl iodide

captamine

propionyl chloride

Downstream raw materials:

β-mercaptoethyltrimethylammonium iodide

Refernces