(4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride

Base Information

• Chemical Name: (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride
• CAS No.: 55-45-8
• Molecular Formula: C14H18 Cl N2 O2 . Cl
• Molecular Weight: 317.215
• UNII: CW55R761RE
• DSSTox Substance ID: DTXSID80203532
• Wikidata: Q27083728
• Pharos Ligand ID: G85HSGBT1CX7
• ChEMBL ID: CHEMBL74300
• Mol file: 55-45-8.mol

Synonyms:(4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium Chloride;A 343, McNeil;McN A 343;McN A-343;McN A343;McN-A-343;McN-A343;McNA343;McNeil A 343

Chemical Property of (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Storage Temp.: Desiccate at RT
• Solubility.: H2O: soluble
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 316.0745332
• Heavy Atom Count: 20
• Complexity: 365

Purity/Quality:

98%min ^*data from raw suppliers

McN-A-343 ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C[N+](C)(C)CC#CCOC(=O)NC1=CC(=CC=C1)Cl.[Cl-]
• Uses: McN-A-343 is a selective agonist of mAChR M1.

Technology Process of (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride

There total 1 articles about (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride 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:

barban (101-27-9) + trimethylamine (75-50-3) → 4-[N-(3-chlorophenyl)carbamoyloxy]-2-butynyltrimethylammonium chloride (55-45-8)

Guidance literature:

In benzene;

DOI:10.1021/jo01049a527

upstream raw materials:

barban

trimethylamine