Murexine chloride

Base Information

• Chemical Name: Murexine chloride
• CAS No.: 6209-43-4
• Molecular Formula: C11H18ClN3O2
• Molecular Weight: 259.73252
• UNII: 42DIT09NOE
• Wikidata: Q27258533
• Mol file: 6209-43-4.mol

Synonyms:Murexine chloride;UNII-42DIT09NOE;42DIT09NOE;6209-43-4;2-((3-(1H-Imidazol-4-yl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethylethanaminium chloride;Ethanaminium, 2-((3-(1H-imidazol-4-yl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethyl-, chloride;Ethanaminium, 2-[[3-(1H-imidazol-4-yl)-1-oxo-2-propenyl]oxy]-N,N,N-trimethyl-, chloride;C11H18N3O2.Cl;MUREXINE CHLORIDE [MI];CHOLINE CHLORIDE .BETA.-(4-IMIDAZOLYL)ACRYLATE;Q27258533;ETHANAMINIUM, 2-((3-(1H-IMIDAZOL-5-YL)-1-OXO-2-PROPEN-1-YL)OXY)-N,N,N-TRIMETHYL-, CHLORIDE (1:1)

Chemical Property of Murexine chloride

Chemical Property:

• PSA: 52.08000
• LogP: 1.10340
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 259.1087545
• Heavy Atom Count: 17
• Complexity: 258

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CCOC(=O)C=CC1=CN=CN1.[Cl-]
• Isomeric SMILES: C[N+](C)(C)CCOC(=O)/C=C/C1=CN=CN1.[Cl-]

Technology Process of Murexine chloride

There total 3 articles about Murexine 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:

trimethylamine (75-50-3) → 3t-(1(3)H-imidazol-4-yl)-acrylic acid-(2-dimethylamino-ethyl ester) + {2-[3t-(1(3)H-imidazol-4-yl)-acryloyloxy]-ethyl}-trimethyl-ammonium; chloride (6209-43-4)

Guidance literature:

With ethanol; at 120 ℃;

Reference yield:

trimethylamine (75-50-3) → {2-[3t-(1(3)H-imidazol-4-yl)-acryloyloxy]-ethyl}-trimethyl-ammonium; chloride (6209-43-4)

Guidance literature:

With acetone; unter Druck;

Reference yield:

cyanoacetic acid chloride (16130-58-8) + choline chloride (67-48-1) → {2-[3t-(1(3)H-imidazol-4-yl)-acryloyloxy]-ethyl}-trimethyl-ammonium; chloride (6209-43-4)

Guidance literature:

aufeinanderfolgendes Behandeln mit 1⁽³⁾H-Imidazol-4-carbaldehyd in Aethanol und wss.HCl;

upstream raw materials:

cyanoacetic acid chloride

choline chloride

trimethylamine