Methylbenactyzium bromide

Base Information

• Chemical Name: Methylbenactyzium bromide
• CAS No.: 3166-62-9
• Molecular Formula: C21H28 N O3 . Br
• Molecular Weight: 422.362
• Hs Code.: 2923900090
• European Community (EC) Number: 221-628-3
• NSC Number: 11525
• UNII: M35Q3X4F69
• DSSTox Substance ID: DTXSID2046832
• Wikidata: Q27283425
• NCI Thesaurus Code: C174687
• Pharos Ligand ID: C9TJ5ZC77SUK
• ChEMBL ID: CHEMBL2106570
• Mol file: 3166-62-9.mol

Synonyms:(2-benziloyloxyethyl)diethylmethylammonium iodide;2-diethylaminoethyldiphenylglycolate methylbromide;diethyllachesine;diethyllachesine bromide;diethyllachesine iodide;filcilin;methylbenactyzium bromide

Chemical Property of Methylbenactyzium bromide

Chemical Property:

• Melting Point: 169-170℃
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 46.53000
• Density: g/cm³
• LogP: -0.04390
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 421.12526
• Heavy Atom Count: 26
• Complexity: 389

Purity/Quality:

99% ^*data from raw suppliers

5,5-Dimethyloxazolidine-2,4-dione >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Br-]

Technology Process of Methylbenactyzium bromide

There total 3 articles about Methylbenactyzium bromide 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:

Benzilic acid (76-93-7) → AV43385 Bromide (3166-62-9)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄; CCl₄

2: acetone

With tetrachloromethane; sulfuric acid; acetone;

Reference yield:

methyl bromide (74-83-9) + benactyzine (302-40-9) → AV43385 Bromide (3166-62-9)

Guidance literature:

With chloroform;

Reference yield:

N,N-diethylnmethylamine (616-39-7) + benzilic acid-(2-bromo-ethyl ester) (88869-41-4) → AV43385 Bromide (3166-62-9)

Guidance literature:

With acetone;

upstream raw materials:

methyl bromide

benactyzine

N,N-diethylnmethylamine

benzilic acid-(2-bromo-ethyl ester)