Toralactone

Base Information

Chemical Name:Toralactone
CAS No.:41743-74-2
Molecular Formula:C15H12 O5
Molecular Weight:272.25
Hs Code.:2932999099
DSSTox Substance ID:DTXSID20194576
Nikkaji Number:J516.545H
Metabolomics Workbench ID:48240
ChEMBL ID:CHEMBL4457748
Mol file:41743-74-2.mol

Synonyms:toralactone

Suppliers and Price of Toralactone

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

ChemScene
Toralactone
1mg
$ 130.00

Total 11 raw suppliers

Chemical Property of Toralactone

Chemical Property:

Vapor Pressure:7.63E-10mmHg at 25°C
Melting Point:250-252 °C
Boiling Point:480.2°Cat760mmHg
PKA:4.65±0.20(Predicted)
Flash Point:184.8°C
PSA：79.90000
Density:1.432g/cm³
LogP:2.67440
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:272.06847348
Heavy Atom Count:20
Complexity:432

Purity/Quality:

97% ^*data from raw suppliers

Toralactone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=CC3=CC(=CC(=C3C(=C2C(=O)O1)O)O)OC

Technology Process of Toralactone

There total 5 articles about Toralactone 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: 85.0%

: 71602-63-6
10-hydroxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-1-on-9-O-methyllactone

: 41743-74-2
Toralactone

Guidance literature:: With boron tribromide; In dichloromethane; at 20 ℃; for 7h;
DOI:10.1021/jo034223u

Reference yield:

: 119170-52-4
cassiaside C

: 41743-74-2
Toralactone

Guidance literature:: With β-glucosidase; In water; at 37 ℃; for 20h;

Reference yield:

: 3686-57-5
2,4-dimethoxy-6-methylbenzoic acid

: 41743-74-2
Toralactone

Guidance literature:: Multi-step reaction with 2 steps

1.1: LDA / tetrahydrofuran; cyclohexane / 0.33 h / -78 °C

1.2: 32 percent / tetrahydrofuran; cyclohexane / -78 - 20 °C

2.1: 85 percent / BBr₃ / CH₂Cl₂ / 7 h / 20 °C

With boron tribromide; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane; cyclohexane;
DOI:10.1021/jo034223u