Benziodarone

Base Information

• Chemical Name: Benziodarone
• CAS No.: 68-90-6
• Molecular Formula: C17H12 I2 O3
• Molecular Weight: 518.089
• European Community (EC) Number: 200-695-2
• NSC Number: 82133
• UNII: 75CL65GTYR
• DSSTox Substance ID: DTXSID1046134
• Nikkaji Number: J4.861E
• Wikipedia: Benziodarone
• Wikidata: Q4890775
• NCI Thesaurus Code: C74127
• Metabolomics Workbench ID: 154103
• ChEMBL ID: CHEMBL232201
• Mol file: 68-90-6.mol

Synonyms:2-ethyl-3-benzofuranyl-4-hydroxy-3,5-diiodophenyl ketone;Algocor;Amplivix;benziodarone;Cardivix;Dila-Vasal;Dilafurane

Chemical Property of Benziodarone

Chemical Property:

• Vapor Pressure: 2.35E-11mmHg at 25°C
• Melting Point: 167°
• Boiling Point: 518.2°C at 760 mmHg
• Flash Point: 267.2°C
• PSA: 50.44000
• Density: 1.993g/cm³
• LogP: 5.14100
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
• Water Solubility.: 5.881mg/L(20 oC)
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 517.88759
• Heavy Atom Count: 22
• Complexity: 405

Purity/Quality:

99%, ^*data from raw suppliers

Benziodarone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I
• Uses: Benziodarone is a uricosuric drug,it is used to effectively to control hyperuricemia in renal transplantation.
• Therapeutic Function: Coronary vasodilator, Uricosuric

Technology Process of Benziodarone

There total 6 articles about Benziodarone 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: 46.2%

benzarone (1477-19-6) → benziodarone (68-90-6)

Guidance literature:

With iodine; silver nitrate; In methanol; at 20 ℃; for 3h;

Reference yield:

benzarone (1477-19-6) → benziodarone (68-90-6) + benzbromarone (3562-84-3)

Guidance literature:

Reference yield:

(2-ethylbenzofuran-3-yl)(4-methoxyphenyl)methanone (3343-80-4) → benziodarone (68-90-6)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanethiol; sodium hydride / N,N-dimethyl-formamide / 3 h / 110 °C

2: silver nitrate; iodine / methanol / 3 h / 20 °C

With iodine; sodium hydride; silver nitrate; ethanethiol; In methanol; N,N-dimethyl-formamide;

upstream raw materials:

benzarone

(2-ethylbenzofuran-3-yl)(4-methoxyphenyl)methanone

salicylaldehyde

2-ethylbenzofuran

Refernces

• 1、 -. "Preparation of 2-alkyl-3-(4-hydroxybenzoyl)benzofuran". . . Retrieved 2008/06/13.