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Homoisomelodienone

Base Information Edit
  • Chemical Name:Homoisomelodienone
  • CAS No.:135626-22-1
  • Molecular Formula:C16H16O5
  • Molecular Weight:288.3
  • Hs Code.:
  • Metabolomics Workbench ID:136885
  • ChEMBL ID:CHEMBL465645
  • Mol file:135626-22-1.mol
Homoisomelodienone

Synonyms:homoisomelodienone

Suppliers and Price of Homoisomelodienone
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
Total 1 raw suppliers
Chemical Property of Homoisomelodienone Edit
Chemical Property:
  • Vapor Pressure:4.02E-08mmHg at 25°C 
  • Boiling Point:445.2°Cat760mmHg 
  • Flash Point:197.4°C 
  • PSA:69.67000 
  • Density:1.166g/cm3 
  • LogP:2.08800 
  • XLogP3:2.2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:9
  • Exact Mass:288.09977361
  • Heavy Atom Count:21
  • Complexity:416
Purity/Quality:
Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCOC(=O)C=CC(=O)C=CCOC(=O)C1=CC=CC=C1
  • Isomeric SMILES:CCOC(=O)/C=C\C(=O)/C=C/COC(=O)C1=CC=CC=C1
Technology Process of Homoisomelodienone

There total 8 articles about Homoisomelodienone 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:
Guidance literature:
With triethylamine; In acetonitrile; at 20 ℃; for 3h; Overall yield = 42 percent; Overall yield = 73 mg; stereoselective reaction; Inert atmosphere;
DOI:10.1039/d1ob00599e
Guidance literature:
With triethylamine; In acetonitrile; at 20 ℃; for 3h; Overall yield = 42 percent; Overall yield = 73 mg; stereoselective reaction; Inert atmosphere;
DOI:10.1039/d1ob00599e
Guidance literature:
Multi-step reaction with 4 steps
1.1: sodium hydride / tetrahydrofuran / 0.5 h / 0 °C / Inert atmosphere
1.2: 3 h / 0 °C / Inert atmosphere
2.1: manganese(IV) oxide / dichloromethane / 8 h / 20 °C / Inert atmosphere
3.1: lithium diisopropyl amide / tetrahydrofuran / 0.17 h / -78 °C / Inert atmosphere
3.2: 0.5 h / -78 °C / Inert atmosphere
4.1: triethylamine / acetonitrile / 3 h / 20 °C / Inert atmosphere
With manganese(IV) oxide; sodium hydride; triethylamine; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane; acetonitrile;
DOI:10.1039/d1ob00599e
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