Methacholine iodide

Base Information

• Chemical Name: Methacholine iodide
• CAS No.: 625-19-4
• Molecular Formula: C8H18 N O2 . I
• Molecular Weight: 287.141
• Hs Code.: 2923900090
• European Community (EC) Number: 210-879-4
• NSC Number: 281057
• UNII: 84CEW0PVDV
• Wikidata: Q27269518
• ChEMBL ID: CHEMBL12137
• Mol file: 625-19-4.mol

Synonyms:Methacholine iodide;625-19-4;Acetyl-beta-methylcholine iodide;2-Acetoxypropyltrimethylammonium iodide;Mecholyl iodide;UNII-84CEW0PVDV;84CEW0PVDV;EINECS 210-879-4;2-acetyloxypropyl(trimethyl)azanium;iodide;NSC 281057;NSC-281057;ACETYL-BETA-METHYLCHOLINEIODIDE;CHEMBL12137;SCHEMBL1256548;NSC281057;FT-0628269;A-1482;(+/-)-ACETYL-.BETA.-METHYLCHOLINE IODIDE;2-acetoxy-N,N,N-trimethylpropan-1-aminium iodide;Q27269518;Ammonium, (2-hydroxypropyl)trimethyl-, iodide, acetate;(2-HYDROXYPROPYL)TRIMETHYLAMMONIUM IODIDE, ACETATE;1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, iodide;2-(ACETYLOXY)-N,N,N-TRIMETHYLPROPAN-1-AMINIUM IODIDE

Chemical Property of Methacholine iodide

Chemical Property:

• PSA: 26.30000
• LogP: -2.35180
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 287.03823
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methacholine iodide

There total 3 articles about Methacholine 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:

1-methyl-2-N,N-dimethylaminoethanol (108-16-7,53657-16-2) + acetic anhydride (108-24-7) + methyl iodide (74-88-4) → (+/-)-(2-acetoxy-propyl)-trimethyl-ammonium; iodide (625-19-4)

Guidance literature:

Reference yield:

acetic anhydride (108-24-7) + (+/-)-(2-hydroxy-propyl)-trimethyl-ammonium; iodide (26112-50-5) → (+/-)-(2-acetoxy-propyl)-trimethyl-ammonium; iodide (625-19-4)

Guidance literature:

DOI:10.1111/j.2042-7158.1963.tb12798.x

Reference yield:

→ (+/-)-(2-acetoxy-propyl)-trimethyl-ammonium; iodide (625-19-4)

Guidance literature:

Aus rac.-1-Dimethylamino-2-propanol 1: Acetanhydrid 2: Methyljodid;

DOI:10.1021/jm00296a034

upstream raw materials:

1-methyl-2-N,N-dimethylaminoethanol

acetic anhydride

methyl iodide

(+/-)-(2-hydroxy-propyl)-trimethyl-ammonium; iodide

Refernces

• 1、 BECKETT,HARPER,CLITHEROW. "The absolute configurations of the alfa- and beta-methylcholine isomers and their acetyl and succinyl esters.". . p. 349 - 361. Retrieved 2007/10/05.