Xanthotoxol geranyl ether

Base Information

Chemical Name:Xanthotoxol geranyl ether
CAS No.:7437-55-0
Molecular Formula:C₂₁H₂₂O₄
Molecular Weight:338.403
Hs Code.:
European Community (EC) Number:806-173-6,866-393-3
DSSTox Substance ID:DTXSID001315117
Nikkaji Number:J1.210.783H,J475.317H
Wikidata:Q3599893
Metabolomics Workbench ID:48486
ChEMBL ID:CHEMBL1412710
Mol file:7437-55-0.mol

Synonyms:5-geranoxypsoralen;8-geranyloxypsoralen;bergamottin

Suppliers and Price of Xanthotoxol geranyl ether

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
8-Geranopsoralen
5mg
$ 490.00

TRC
8-Geranyloxypsoralen
2.5mg
$ 55.00

Sigma-Aldrich
8-Geranyloxypsoralen analytical standard
10mg
$ 920.00

Matrix Scientific
9-((3,7-Dimethylocta-2,6-dien-1-yl)-oxy)-7H-furo[3,2-g]chromen-7-one 95+%
1g
$ 1647.00

Matrix Scientific
9-((3,7-Dimethylocta-2,6-dien-1-yl)-oxy)-7H-furo[3,2-g]chromen-7-one 95+%
250mg
$ 742.00

DC Chemicals
8-GERANOPSORALEN >98%
20 mg
$ 380.00

CSNpharm
8-Geranyloxypsoralen
10mg
$ 213.00

Crysdot
8-Geranyloxypsoralen 95+%
1g
$ 780.00

Crysdot
8-Geranyloxypsoralen 95+%
250mg
$ 312.00

ChemScene
8-Geranyloxypsoralen 99.89%
5mg
$ 403.00

Total 55 raw suppliers

Chemical Property of Xanthotoxol geranyl ether

Chemical Property:

Melting Point:53-54 °C
Boiling Point:503.7±50.0 °C(Predicted)
PSA：52.58000
Density:1.153±0.06 g/cm3(Predicted)
LogP:5.61070
Storage Temp.:2-8°C
XLogP3:5.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:338.15180918
Heavy Atom Count:25
Complexity:570

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

8-Geranopsoralen ^*data from reagent suppliers

Safty Information:

Pictogram(s): 313632
Hazard Codes:Xn
Statements: 22-43
Safety Statements: 36-37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CCCC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C)C
Isomeric SMILES:CC(=CCC/C(=C/COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)/C)C
Uses 8-Geranyloxypsoralen is an anti-bacterial substances that were active against oral bacteria that causes dental caries and periodontitis such as Streptococcus mutans, Prevotella intermedia, and Porphyromonas gingivalis. Also, it is an β-secretase inhibitor.

Technology Process of Xanthotoxol geranyl ether

There total 2 articles about Xanthotoxol geranyl ether 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: 82.0%

: 6138-90-5
trans-geranyl bromide

: 2009-24-7
8-hydroxypsoralen

: 71612-25-4,7437-55-0
8-geranyloxypsoralen

Guidance literature:: With potassium carbonate; In acetone; for 17h; Heating;
DOI:10.1016/j.bmc.2006.01.046

Reference yield:

: 298-81-7
9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one

: 71612-25-4,7437-55-0
8-geranyloxypsoralen

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / BBr₃ / CH₂Cl₂ / 4 h / 20 °C

2: 82 percent / K₂CO₃ / acetone / 17 h / Heating

With boron tribromide; potassium carbonate; In dichloromethane; acetone;
DOI:10.1016/j.bmc.2006.01.046

Reference yield:

: 71612-25-4,7437-55-0
8-geranyloxypsoralen

: 68123-30-8
Dihydro-8-hydroxypsoralen

Guidance literature:: Multi-step reaction with 3 steps

1: 73 percent / hexafluoroacetone trihydrate; H₂O₂; Na₂HPO₄ / CH₂Cl₂; H₂O / 18 h / 20 °C

2: camphorsulfonic acid / methanol

3: 77 percent / Et₃N; formic acid / Pd/C / acetone / 0.25 h

With disodium hydrogenphosphate; formic acid; camphor-10-sulfonic acid; dihydrogen peroxide; triethylamine; Hexafluoroacetone; palladium on activated charcoal; In methanol; dichloromethane; water; acetone;
DOI:10.1016/j.bmc.2006.01.046