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Xanthatin

Base Information Edit
  • Chemical Name:Xanthatin
  • CAS No.:26791-73-1
  • Molecular Formula:C15H18O3
  • Molecular Weight:246.306
  • Hs Code.:
  • UNII:298X1N12LS
  • ChEMBL ID:CHEMBL404466
  • DSSTox Substance ID:DTXSID001317668
  • Metabolomics Workbench ID:133767
  • Nikkaji Number:J21.277F
  • Wikidata:Q27108568
  • Mol file:26791-73-1.mol
Xanthatin

Synonyms:8-epi-xanthatin;xanthatin

Suppliers and Price of Xanthatin
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
  • Crysdot
  • Xanthatin 95+%
  • 5mg
  • $ 440.00
  • ChemScene
  • Xanthatin 99.79%
  • 10mg
  • $ 215.00
  • ChemScene
  • Xanthatin 99.79%
  • 5mg
  • $ 125.00
  • ChemScene
  • Xanthatin 99.79%
  • 100mg
  • $ 1335.00
  • ChemScene
  • Xanthatin 99.79%
  • 50mg
  • $ 775.00
  • AvaChem
  • Xanthatin
  • 5mg
  • $ 590.00
  • AvaChem
  • Xanthatin
  • 2mg
  • $ 390.00
  • Arctom
  • (3aR,7S,8aS)-7-Methyl-3-methylene-6-((E)-3-oxobut-1-en-1-yl)-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one ≥95%
  • 100mg
  • $ 593.00
  • Arctom
  • (3aR,7S,8aS)-7-Methyl-3-methylene-6-((E)-3-oxobut-1-en-1-yl)-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one ≥95%
  • 50mg
  • $ 318.00
  • Arctom
  • (3aR,7S,8aS)-7-Methyl-3-methylene-6-((E)-3-oxobut-1-en-1-yl)-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one ≥95%
  • 5mg
  • $ 129.00
Total 43 raw suppliers
Chemical Property of Xanthatin Edit
Chemical Property:
  • Vapor Pressure:4.33E-08mmHg at 25°C 
  • Melting Point:114.5-115° 
  • Boiling Point:444.3°Cat760mmHg 
  • Flash Point:199.2°C 
  • PSA:43.37000 
  • Density:1.1g/cm3 
  • LogP:2.58570 
  • Storage Temp.:2-8°C 
  • XLogP3:2.1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:2
  • Exact Mass:246.125594432
  • Heavy Atom Count:18
  • Complexity:456
Purity/Quality:

HPLC≥98% *data from raw suppliers

Xanthatin 95+% *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1CC2C(CC=C1C=CC(=O)C)C(=C)C(=O)O2
  • Isomeric SMILES:C[C@H]1C[C@H]2[C@H](CC=C1/C=C/C(=O)C)C(=C)C(=O)O2
Technology Process of Xanthatin

There total 10 articles about Xanthatin 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 ethanol; sodium acetate;
DOI:10.1021/ja01632a014
Guidance literature:
Multi-step reaction with 3 steps
1.1: lithium diisopropyl amide / hexane; tetrahydrofuran / 1 h / -78 °C / Inert atmosphere
1.2: 1.33 h / -78 - 0 °C / Inert atmosphere
2.1: lithium diisopropyl amide; N,N,N,N,N,N-hexamethylphosphoric triamide; diphenyl diselenide / hexane; tetrahydrofuran / 2 h / -78 - -40 °C / Inert atmosphere
2.2: 3 h / -40 - 0 °C
3.1: Hoveyda-Grubbs catalyst second generation / dichloromethane / 1 h / 45 °C
With N,N,N,N,N,N-hexamethylphosphoric triamide; Hoveyda-Grubbs catalyst second generation; diphenyl diselenide; lithium diisopropyl amide; In tetrahydrofuran; hexane; dichloromethane;
DOI:10.1016/j.tet.2012.11.077
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