buzepide metiodide

Base Information

• Chemical Name: buzepide metiodide
• CAS No.: 15351-05-0
• Molecular Formula: C23H31 N2 O . I
• Molecular Weight: 478.416
• European Community (EC) Number: 239-383-6
• UNII: 5A9SS67K16
• Wikidata: Q27261747
• NCI Thesaurus Code: C78065
• ChEMBL ID: CHEMBL2106132
• Mol file: 15351-05-0.mol

Synonyms:1-(3-Carbamoyl-3,3-diphenylpropyl)hexahydro-1-methylazepiniumiodide (6CI); 1H-Azepinium,1-(3-carbamoyl-3,3-diphenylpropyl)hexahydro-1-methyl-, iodide (8CI);1H-Azepinium, 1-(4-amino-4-oxo-3,3-diphenylbutyl)hexahydro-1-methyl-, iodide(9CI); 1-(3-Carbamoyl-3,3-diphenylpropyl) perhydro-1-methylazepinium iodide;2,2-Diphenyl-4-hexamethyleniminobutyramide methiodide; Buzepide methiodide;Buzepide metiodide; Difexamide methiodide; Diphexamide methiodide; FI 6146;Metazepium iodide; R 661; Spactin

Chemical Property of buzepide metiodide

Chemical Property:

• Melting Point: 212-213 °C (decomp)
• PSA: 43.09000
• LogP: 1.53180
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 478.14811
• Heavy Atom Count: 27
• Complexity: 423

Purity/Quality:

98%Min ^*data from raw suppliers

BUZEPIDE METHIODIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCCCCC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N.[I-]

Technology Process of buzepide metiodide

There total 5 articles about buzepide metiodide 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:

hexamethylene imine (111-49-9) → 1-(3-carbamoyl-3,3-diphenyl-propyl)-1-methyl-hexahydro-azepinium; iodide (15351-05-0)

Guidance literature:

Multi-step reaction with 3 steps

1: xylene

2: aqueous sulfuric acid

With sulfuric acid; xylene;

Reference yield:

4-bromo-2,2-diphenylbutyronitrile (39186-58-8) → 1-(3-carbamoyl-3,3-diphenyl-propyl)-1-methyl-hexahydro-azepinium; iodide (15351-05-0)

Guidance literature:

Multi-step reaction with 3 steps

1: xylene

2: aqueous sulfuric acid

With sulfuric acid; xylene;

Reference yield:

Diphenylacetonitrile (86-29-3) → 1-(3-carbamoyl-3,3-diphenyl-propyl)-1-methyl-hexahydro-azepinium; iodide (15351-05-0)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium amide; benzene / anschliessend mit 1-<2-Chlor-aethyl>-hexahydroazepin und Xylol

2: aqueous sulfuric acid

With sulfuric acid; sodium amide; benzene;

upstream raw materials:

4-hexahydroazepin-1-yl-2,2-diphenyl-butyric acid amide

methyl iodide

hexamethylene imine

4-bromo-2,2-diphenylbutyronitrile