Irilone

Base Information

• Chemical Name: Irilone
• CAS No.: 41653-81-0
• Molecular Formula: C16H10O6
• Molecular Weight: 298.252
• Hs Code.: 2932999099
• UNII: FB3FTT7LYK
• ChEMBL ID: CHEMBL3527329
• DSSTox Substance ID: DTXSID60415191
• Metabolomics Workbench ID: 22520
• Nikkaji Number: J17.624I
• Wikidata: Q6069737
• Wikipedia: Irilone
• Mol file: 41653-81-0.mol

Synonyms:irilone

Chemical Property of Irilone

Chemical Property:

• Vapor Pressure: 4.34E-13mmHg at 25°C
• Melting Point: 236-237oC
• Boiling Point: 558.7°C at 760 mmHg
• Flash Point: 215.9°C
• PSA: 89.13000
• Density: 1.592
• LogP: 2.59990
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 298.04773803
• Heavy Atom Count: 22
• Complexity: 481

Purity/Quality:

99% ^*data from raw suppliers

Irilone ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O

Technology Process of Irilone

There total 1 articles about Irilone 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:

→ Irilone (41653-81-0)

Guidance literature:

Irisolon, AlCl3;

DOI:10.1007/BF00910057

Reference yield:

Irilone (41653-81-0) + uridine diphosphoglucuronic acid (2616-64-0,7305-43-3,50722-58-2,106864-00-0,14520-48-0,30329-32-9,3545-73-1,5918-40-1) → C22H18O12

Guidance literature:

With human recombinant UDP glucuronosyltransferase 1A₉; magnesium chloride; In dimethyl sulfoxide; at 37 ℃; for 1.5h; pH=7.4; Kinetics; aq. phosphate buffer;

DOI:10.1124/dmd.110.033076

Reference yield:

Irilone (41653-81-0) + uridine diphosphoglucuronic acid (2616-64-0,7305-43-3,50722-58-2,106864-00-0,14520-48-0,30329-32-9,3545-73-1,5918-40-1) → C22H18O12

Guidance literature:

With human recombinant UDP glucuronosyltransferase 1A₁₀; magnesium chloride; In dimethyl sulfoxide; at 37 ℃; for 1.5h; pH=7.4; Reagent/catalyst; Kinetics; aq. phosphate buffer;

DOI:10.1124/dmd.110.033076