Xanthotoxol acetate

Base Information Edit

Chemical Name:Xanthotoxol acetate
CAS No.:10386-19-3
Molecular Formula:C13H8 O5
Molecular Weight:244.204
Hs Code.:
NSC Number:331793
UNII:LRU60UW29D
DSSTox Substance ID:DTXSID40146113
Wikidata:Q83010852
ChEMBL ID:CHEMBL1288936
Mol file:10386-19-3.mol

Synonyms:Xanthotoxol acetate;9-Acetoxypsoralen;8-Acetoxypsoralene;10386-19-3;LRU60UW29D;MLS000113113;NSC331793;NSC-331793;SMR000109020;7H-Furo(3,2-g)(1)benzopyran-7-one, 9-(acetyloxy)-;7H-Furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy-, acetate;(7-oxofuro[3,2-g]chromen-9-yl) acetate;9-Acetoxyfuro(3,2-g)coumarin;NSC 331793;Opera_ID_940;UNII-LRU60UW29D;CHEMBL1288936;7H-Furo[3, 9-(acetyloxy)-;DTXSID40146113;7H-Furo(3,2-g)(1)benzopyran-7-one, 9-(acetyloxy)- (9CI);9-Acetoxyfuro-(3,2-g)-coumarin;HMS2185B05;7H-Furo[3, 9-hydroxy-, acetate;9-Acetoxyfuro-(3, 2-g)-coumarin;AKOS000277011;CCG-327594;7-Oxo-7H-furo[3,2-g]chromen-9-yl acetate;{7H-Furo[3,2-g][1]benzopyran-7-one,} 9-(acetyloxy)-;9-(ACETYLOXY)-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE;{7H-Furo[3,2-g][1]benzopyran-7-one,} 9-hydroxy-, acetate;5-BENZOFURANACRYLIC ACID, 6,7-DIHYDROXY-, .DELTA.-LACTONE, ACETATE

Suppliers and Price of Xanthotoxol acetate

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

Total 3 raw suppliers

Chemical Property of Xanthotoxol acetate Edit

Chemical Property:

Vapor Pressure:5.4E-08mmHg at 25°C
Boiling Point:441.5°Cat760mmHg
Flash Point:220.8°C
Density:1.422g/cm³
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:244.03717335
Heavy Atom Count:18
Complexity:402

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2

Technology Process of Xanthotoxol acetate

There total 5 articles about Xanthotoxol acetate 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: 92.0%

: 2009-24-7
8-hydroxypsoralen

: 108-24-7
acetic anhydride

: 10386-19-3
O-acetylxanthotoxol

Guidance literature:: With pyridine; dmap; at 20 ℃; for 24h; Inert atmosphere;
DOI:10.1016/j.ejmech.2010.08.045

Reference yield:

: 482-44-0
imperatorin

: 10386-19-3
O-acetylxanthotoxol

Guidance literature:: Multi-step reaction with 2 steps

1: 26 mg / acetone / 100 h / 25 - 30 °C / Irradiation

2: 2 h / Heating

In acetone;
DOI:10.1246/bcsj.60.4433

Reference yield:

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

: 10386-19-3
O-acetylxanthotoxol

Guidance literature:: Multi-step reaction with 2 steps

1: boron tribromide / dichloromethane / 4 h / 10 °C

2: triethylamine; dmap / dichloromethane / 25 °C

With dmap; boron tribromide; triethylamine; In dichloromethane;