Inotilone

Base Information

Chemical Name:Inotilone
CAS No.:906366-79-8
Molecular Formula:C₁₂H₁₀O₄
Molecular Weight:218.209
Hs Code.:
European Community (EC) Number:618-603-8
UNII:CN7VXC9PKS
Metabolomics Workbench ID:118985
Wikipedia:Inotilone
Mol file:906366-79-8.mol

Synonyms:inotilone

Suppliers and Price of Inotilone

Supply Marketing:

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

Usbiological
Inotilone
5mg
$ 446.00

TRC
Inotilone
5mg
$ 155.00

Medical Isotopes, Inc.
Inotilone
25 mg
$ 2120.00

Cayman Chemical
Inotilone ≥98%
25mg
$ 568.00

Cayman Chemical
Inotilone ≥98%
5mg
$ 142.00

Cayman Chemical
Inotilone ≥98%
1mg
$ 39.00

Cayman Chemical
Inotilone ≥98%
10mg
$ 266.00

ApexBio Technology
Inotilone
5mg
$ 182.00

ApexBio Technology
Inotilone
25mg
$ 728.00

ApexBio Technology
Inotilone
10mg
$ 339.00

Total 12 raw suppliers

Chemical Property of Inotilone

Chemical Property:

Melting Point:177.4 °C
Boiling Point:491.9±45.0 °C(Predicted)
PKA:8.58±0.35(Predicted)
PSA：66.76000
Density:1.433±0.06 g/cm3(Predicted)
LogP:1.94180
Solubility.:≤1mg/ml in ethanol;30mg/ml in DMSO;30mg/ml in dimethyl formamide
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:218.05790880
Heavy Atom Count:16
Complexity:356

Purity/Quality:

97% ^*data from raw suppliers

Inotilone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=O)C(=CC2=CC(=C(C=C2)O)O)O1
Isomeric SMILES:CC1=CC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/O1
Uses A potent COX-2 inhibitor. Inotilone is used for treating degenerative conditions from overexpression of iNOS.

Technology Process of Inotilone

There total 9 articles about Inotilone 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: 70.9%

: 3511-32-8
5-methyl-3(2H)-furanone

: 139-85-5
3,4-dihydroxybenzaldehyde

: 1284249-40-6,906366-79-8
inotilone

Guidance literature:: With potassium carbonate; In tetrahydrofuran; water; at 20 ℃; Reflux;
DOI:10.1080/00397910903047778

Reference yield: 70.0%

: 942294-32-8
5-methyl-3-trimethylsilyloxyfuran

: 139-85-5
3,4-dihydroxybenzaldehyde

: 906366-79-8
2-(2,4-dihydroxybenzylidene)-5-methylfuran-3-one

Guidance literature:: With boron trifluoride diethyl etherate; In tetrahydrofuran; at -30 ℃; for 72h;
DOI:10.1016/j.tetlet.2007.03.166

Reference yield: 20.0%

: 3511-32-8
5-methyl-3(2H)-furanone

: 24677-78-9
2,3-dihydroxybenzaldehyde

: 1284249-40-6,906366-79-8
inotilone

Guidance literature:: 5-methyl-3(2H)-furanone; 2,3-dihydroxybenzaldehyde; With tri-sec-butylborate; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃;

With acetic acid; In dichloromethane; N,N-dimethyl-formamide; at 60 ℃; for 0.5h;