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Hirsutenone

Base Information Edit
  • Chemical Name:Hirsutenone
  • CAS No.:41137-87-5
  • Molecular Formula:C19H20O5
  • Molecular Weight:328.365
  • Hs Code.:2914501900
  • European Community (EC) Number:803-884-3
  • UNII:VQ04K2MMM5
  • DSSTox Substance ID:DTXSID00873736
  • Nikkaji Number:J1.033.462D,J2.250.660I
  • Wikidata:Q72482499
  • Metabolomics Workbench ID:136508
  • ChEMBL ID:CHEMBL464274
  • Mol file:41137-87-5.mol
Hirsutenone

Synonyms:hirsutenone

Suppliers and Price of Hirsutenone
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
  • Sigma-Aldrich
  • Hirsutenone ≥95% (LC/MS-ELSD)
  • 1mg
  • $ 247.00
  • CSNpharm
  • Hirsutenone
  • 1mg
  • $ 333.00
  • Crysdot
  • Hirsutenone 95+%
  • 5mg
  • $ 730.00
  • Arctom
  • Hirsutenone
  • 5mg
  • $ 463.00
Total 12 raw suppliers
Chemical Property of Hirsutenone Edit
Chemical Property:
  • Boiling Point:622.0±55.0 °C(Predicted) 
  • PKA:9.76±0.10(Predicted) 
  • PSA:97.99000 
  • Density:1.313±0.06 g/cm3(Predicted) 
  • LogP:3.19970 
  • Storage Temp.:?20°C 
  • XLogP3:3.1
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:7
  • Exact Mass:328.13107373
  • Heavy Atom Count:24
  • Complexity:422
Purity/Quality:

98%min *data from raw suppliers

Hirsutenone ≥95% (LC/MS-ELSD) *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes:
  • Statements: 50 
  • Safety Statements: 61 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1=CC(=C(C=C1CCC=CC(=O)CCC2=CC(=C(C=C2)O)O)O)O
  • Isomeric SMILES:C1=CC(=C(C=C1CC/C=C/C(=O)CCC2=CC(=C(C=C2)O)O)O)O
Technology Process of Hirsutenone

There total 7 articles about Hirsutenone 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 pyridine; aluminium trichloride; In 1,2-dichloro-ethane; for 4h; Heating;
Guidance literature:
With sulfuric acid; water; at 50 ℃; for 3h;
DOI:10.1248/cpb.58.238
Guidance literature:
Multi-step reaction with 4 steps
1: 80 percent / H2 / Pd/C / ethyl acetate / 2 h / 20 °C
2: 33 percent / NaBH4 / methanol / 2 h / 20 °C
3: 84 percent / p-TsOH / benzene / 2 h / Heating
4: 36 percent / AlCl3; pyridine / 1,2-dichloro-ethane / 4 h / Heating
With pyridine; sodium tetrahydroborate; aluminium trichloride; hydrogen; toluene-4-sulfonic acid; palladium on activated charcoal; In methanol; ethyl acetate; 1,2-dichloro-ethane; benzene;
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