3-(2-Benzoxazolyl)-7-octanoyloxycoumarin

Base Information

Chemical Name:3-(2-Benzoxazolyl)-7-octanoyloxycoumarin
CAS No.:97004-80-3
Molecular Formula:C₂₄H₂₃NO₅
Molecular Weight:405.45
Hs Code.:2934999090
DSSTox Substance ID:DTXSID20399403
Wikidata:Q82201941
Mol file:97004-80-3.mol

Synonyms:3-(2-Benzoxazolyl)-7-octanoyloxycoumarin;97004-80-3;[3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl] octanoate;3-(Benzo[d]oxazol-2-yl)-2-oxo-2H-chromen-7-yl octanoate;3-(2-Benzoxazolyl)umbelliferyl octanoate;SCHEMBL5533172;DTXSID20399403;3-(1,3-benzoxazol-2-yl)-2-oxo-2H-chromen-7-yl octanoate;3-(2-Benzoxazolyl)umbelliferyl octanoate,for fluorescence

Suppliers and Price of 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin

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

American Custom Chemicals Corporation
3-(2-BENZOXAZOLYL)-7-OCTANOYLOXYCOUMARIN 95.00%
5MG
$ 496.61

Total 2 raw suppliers

Chemical Property of 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin

Chemical Property:

Melting Point:173-175 °C(lit.)
PSA：82.54000
LogP:5.86710
Storage Temp.:2-8°C
Solubility.:DMF: soluble
XLogP3:6.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:405.15762283
Heavy Atom Count:30
Complexity:648

Purity/Quality:

97% ^*data from raw suppliers

3-(2-BENZOXAZOLYL)-7-OCTANOYLOXYCOUMARIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 22-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4O3

Technology Process of 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin

There total 2 articles about 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin 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: 64.0%

: 64887-40-7
3-(benzo[d]oxazol-2-yl)-7-hydroxyl -2H-chromen-2-one

: 623-66-5
octanoic acid anhydride

: 97004-80-3
Octanoic acid 3-benzooxazol-2-yl-2-oxo-2H-chromen-7-yl ester

Guidance literature:: In N,N-dimethyl-formamide; at 60 ℃; for 3h;
DOI:10.1007/BF00798280

Reference yield:

: 124-07-2
Octanoic acid

: 97004-80-3
Octanoic acid 3-benzooxazol-2-yl-2-oxo-2H-chromen-7-yl ester

Guidance literature:: Multi-step reaction with 2 steps

1: dicyclohexylcarbodiimide

2: 64 percent / dimethylformamide / 3 h / 60 °C

With dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide;
DOI:10.1007/BF00798280