Buzepide

Base Information

• Chemical Name: Buzepide
• CAS No.: 3691-21-2
• Molecular Formula: C22H28 N2 O
• Molecular Weight: 336.477
• Hs Code.: 2933990090
• European Community (EC) Number: 223-002-5
• UNII: 44FN6UP526
• DSSTox Substance ID: DTXSID90190388
• Nikkaji Number: J205.603H
• Wikidata: Q27258743
• Mol file: 3691-21-2.mol

Synonyms:Buzepide;Buzepidonum;3691-21-2;Hexahydro-alpha,alpha-diphenyl-1H-azepine-1-butyramide;UNII-44FN6UP526;44FN6UP526;EINECS 223-002-5;Hexahydro-alpha,alpha-diphenyl-1H-azepine-1-butanamide;2,2-diphenyl-4-hexamethyleneiminobutyramide;1H-Azepine-1-butanamide, hexahydro-.alpha.,.alpha.-diphenyl-;4-(azepan-1-yl)-2,2-diphenylbutanamide;hexamethamide;mydriamide;Acemydrite;Calmacid;BUZEPIDE [MI];BUZEPIDE [WHO-DD];SCHEMBL219257;DTXSID90190388;CHEBI:157619;4-(1-Azepanyl)-2,2-diphenylbutanamide;4-(1-Azepanyl)-2,2-diphenylbutanamide #;4-(hexahydro-1H-azepinyl)-2,2-diphenylbutanamide;Q27258743;1H-Azepine-1-butyramide, hexahydro-.alpha.,.alpha.-diphenyl-;HEXAHYDRO-.ALPHA.,.ALPHA.-DIPHENYL-1H-AZEPINE-1-BUTANAMIDE

Chemical Property of Buzepide

Chemical Property:

• Melting Point: 141.5-143.5°
• Boiling Point: 545.6°Cat760mmHg
• Flash Point: 283.8°C
• PSA: 47.32000
• Density: 1.08g/cm³
• LogP: 4.81170
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 336.220163521
• Heavy Atom Count: 25
• Complexity: 384

Purity/Quality:

98%min ^*data from raw suppliers

BUZEPIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCN(CC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N

Technology Process of Buzepide

There total 4 articles about Buzepide 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:

4-hexahydroazepin-1-yl-2,2-diphenyl-butyronitrile (83898-29-7) → 4-hexahydroazepin-1-yl-2,2-diphenyl-butyric acid amide (3691-21-2)

Guidance literature:

With sulfuric acid;

Reference yield:

hexamethylene imine (111-49-9) → 4-hexahydroazepin-1-yl-2,2-diphenyl-butyric acid amide (3691-21-2)

Guidance literature:

Multi-step reaction with 2 steps

1: xylene

2: aqueous sulfuric acid

With sulfuric acid; xylene;

Reference yield:

4-bromo-2,2-diphenylbutyronitrile (39186-58-8) → 4-hexahydroazepin-1-yl-2,2-diphenyl-butyric acid amide (3691-21-2)

Guidance literature:

Multi-step reaction with 2 steps

1: xylene

2: aqueous sulfuric acid

With sulfuric acid; xylene;

upstream raw materials:

4-hexahydroazepin-1-yl-2,2-diphenyl-butyronitrile

hexamethylene imine

4-bromo-2,2-diphenylbutyronitrile

Diphenylacetonitrile

Downstream raw materials:

1-(3-carbamoyl-3,3-diphenyl-propyl)-1-methyl-hexahydro-azepinium; iodide