Benzoylcholine chloride

Base Information

• Chemical Name: Benzoylcholine chloride
• CAS No.: 2964-09-2
• Molecular Formula: C12H18 N O2 . Cl
• Molecular Weight: 243.733
• European Community (EC) Number: 221-000-9
• DSSTox Substance ID: DTXSID70952108
• Mol file: 2964-09-2.mol

Synonyms:Benzoylcholine chloride;2964-09-2;[2-(benzoyloxy)ethyl]trimethylazanium chloride;(2-Hydroxyethyl)trimethylammonium chloride benzoate;Choline, chloride, benzoate;2-(benzoyloxy)-n,n,n-trimethylethanaminium chloride;2-benzoyloxyethyl(trimethyl)azanium;chloride;EINECS 221-000-9;2-Benzoyloxyethyltrimethylammonium chloride;2-(Benzyloxy)-N,N,N-trimethylethanaminium chloride;2-(Benzyloxy)-N,N,N-trimethylethanaminimum chloride;Ammonium, (2-hydroxyethyl)trimethyl-, chloride, benzoate;Ethanaminium, 2-(benzyloxy)-N,N,N-trimethyl-, chloride;SCHEMBL2356481;DTXSID70952108;HMS1537M05;Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, chloride (1:1);MFCD00011786;AKOS015833142;HY-W127639;AS-71168;LS-53193;B0107;CS-0185839;D88604;J-017588;2-(Benzoyloxy)-N,N,N-trimethylethan-1-aminium chloride

Chemical Property of Benzoylcholine chloride

Chemical Property:

• Melting Point: 204-208 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 26.30000
• Density: g/cm³
• LogP: -1.44640
• Sensitive.: Hygroscopic
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 243.1026065
• Heavy Atom Count: 16
• Complexity: 202

Purity/Quality:

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

Benzoylcholine Chloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Quaternary Amines
• Canonical SMILES: C[N+](C)(C)CCOC(=O)C1=CC=CC=C1.[Cl-]

Technology Process of Benzoylcholine chloride

There total 10 articles about Benzoylcholine 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:

choline chloride (67-48-1) + benzoic acid anhydride (93-97-0) → benzoylcholine chloride (2964-09-2)

Guidance literature:

With Zn-salen-cavitand; In dimethylsulfoxide-d6; at 25 ℃; Further Variations:; Reagents; Kinetics;

DOI:10.1039/b515558d

Reference yield:

→ benzoylcholine chloride (2964-09-2)

Guidance literature:

With choline esterase-substances; Hydrolysis;

DOI:10.1002/hlca.19490320217 DOI:10.1126/science.101.2624.385

Reference yield:

2-chloroethyl benzoate (939-55-9) + trimethylamine (75-50-3) → benzoylcholine chloride (2964-09-2)

Guidance literature:

upstream raw materials:

choline

benzoyl chloride

choline chloride

2-iodoethyl benzoate

Downstream raw materials:

choline chloride

benzoic acid

Refernces

• 1、 Sinha, Anshu Kumar,Vigalok, Arkadi,Rawat, Varun. "Catalytic application of zinc complex of oxygen depleted 1,3-bis(pyrazole)-p-tert-butylcalix[4]arene". supporting information. p. 796 - 799. Retrieved 2019/02/14.