Arildone

Base Information

• Chemical Name: Arildone
• CAS No.: 56219-57-9
• Molecular Formula: C20H29 Cl O4
• Molecular Weight: 368.901
• European Community (EC) Number: 260-066-3
• NSC Number: 222800
• UNII: 69MBN7JF59
• DSSTox Substance ID: DTXSID30204771
• Nikkaji Number: J11.137F
• Wikidata: Q27264361
• NCI Thesaurus Code: C77924
• ChEMBL ID: CHEMBL26319
• Mol file: 56219-57-9.mol

Synonyms:arildone;Win 38020;Win-38020

Chemical Property of Arildone

Chemical Property:

• Vapor Pressure: 1.5E-10mmHg at 25°C
• Boiling Point: 510.8°Cat760mmHg
• Flash Point: 175.7°C
• PSA: 52.60000
• Density: 1.078g/cm³
• LogP: 5.25230
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 368.1754371
• Heavy Atom Count: 25
• Complexity: 383

Purity/Quality:

99% ^*data from raw suppliers

ARILDONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C(CCCCCCOC1=C(C=C(C=C1)OC)Cl)C(=O)CC
• Uses: Antiviral.

Technology Process of Arildone

There total 4 articles about Arildone 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:

1 ,6-dibromohexane (629-03-8) → 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-heptanedione (56219-57-9)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / acetone / Heating

2: KI, K₂CO₃ / acetone / Heating

With potassium carbonate; potassium iodide; In acetone;

DOI:10.1021/jm00216a003

Reference yield:

2-chloro-4-methoxyphenol (18113-03-6) → 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-heptanedione (56219-57-9)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / acetone / Heating

2: KI, K₂CO₃ / acetone / Heating

With potassium carbonate; potassium iodide; In acetone;

DOI:10.1021/jm00216a003

Reference yield:

→ 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-heptanedione (56219-57-9)

Guidance literature:

Bromid (Bsp. 10a), Heptandion;

upstream raw materials:

1-bromo-6-(2-chloro-4-methoxyphenoxy)hexane

3,5-heptanedione

1 ,6-dibromohexane

2-chloro-4-methoxyphenol

Downstream raw materials:

ethyl 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazol-1-acetate

4-[6-(2-Chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1-methyl-1H-pyrazole

4-[6-(2-chloro-4-methoxy-phenoxy)-hexyl]-3,5-diethyl-1H-pyrazole

4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylisoxazole