Imiloxan

Base Information

• Chemical Name: Imiloxan
• CAS No.: 81167-16-0
• Molecular Formula: C₁₄H₁₆N₂O₂
• Molecular Weight: 244.293
• UNII: ZJ56PS1DWK
• DSSTox Substance ID: DTXSID1045162
• Nikkaji Number: J23.742F
• Wikipedia: Imiloxan
• Wikidata: Q6004076
• NCI Thesaurus Code: C83792
• Pharos Ligand ID: FTRPRW1WUYZR
• ChEMBL ID: CHEMBL347695
• Mol file: 81167-16-0.mol

Synonyms:Imiloxan

Chemical Property of Imiloxan

Chemical Property:

• Vapor Pressure: 1.31E-06mmHg at 25°C
• Melting Point: 170 - 172°C
• Boiling Point: 411.7°Cat760mmHg
• PKA: 7.24±0.31(Predicted)
• Flash Point: 202.8°C
• PSA: 36.28000
• Density: 1.22g/cm³
• LogP: 3.08750
• Storage Temp.: Desiccate at RT
• Solubility.: H2O: 30 mg/mL, soluble
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 244.121177757
• Heavy Atom Count: 18
• Complexity: 275

Purity/Quality:

99%, ^*data from raw suppliers

Imiloxanhydrochloride ≥98%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=CN=C1CC2COC3=CC=CC=C3O2
• Uses: Antidepressant. Imiloxan Hydrochloride is an α2-?adrenoceptor antagonist.

Technology Process of Imiloxan

There total 4 articles about Imiloxan 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:

2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile (18505-91-4) → imiloxan (81167-16-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 68 percent / HCl gas / 96 h / 5 °C

2: 2.) 4 N HCl / 1.) reflux, 18 h, 2.) 60 deg C, 24 h

3: 1.) NaH / 1.) DMF, RT, 30 min, 2.) DMF, RT, 30 min

With hydrogenchloride; sodium hydride;

DOI:10.1021/jm00348a012

Reference yield:

ethyl (1,4-benzodioxan-2-yl)acetimidate hydrochloride (3789-55-7) → imiloxan (81167-16-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.) 4 N HCl / 1.) reflux, 18 h, 2.) 60 deg C, 24 h

2: 1.) NaH / 1.) DMF, RT, 30 min, 2.) DMF, RT, 30 min

With hydrogenchloride; sodium hydride;

DOI:10.1021/jm00348a012

Reference yield:

ethyl iodide (75-03-6) + 2-<(1,4-benzodioxan-2-yl)methyl>imidazole hydrochloride (81167-19-3) → imiloxan (81167-16-0)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) DMF, RT, 30 min, 2.) DMF, RT, 30 min;

DOI:10.1021/jm00348a012

upstream raw materials:

ethyl iodide

2-<(1,4-benzodioxan-2-yl)methyl>imidazole hydrochloride

2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile

ethyl (1,4-benzodioxan-2-yl)acetimidate hydrochloride

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