Cyclocumarol

Base Information

Chemical Name:Cyclocumarol
CAS No.:518-20-7
Molecular Formula:C20H18O4
Molecular Weight:322.361
Hs Code.:2932999099
European Community (EC) Number:208-248-3
UNII:725P8AW50M
DSSTox Substance ID:DTXSID60862101
Nikkaji Number:J6.581A
Wikidata:Q27266024
NCI Thesaurus Code:C75155
ChEMBL ID:CHEMBL2104144
Mol file:518-20-7.mol

Synonyms:3,4-dihydro-2-methoxy-2-methyl-4-phenyl-2H,5H-pyrano-(3,2-c)(1)-benzopyran-5-one;Cumopyran;Cumopyrin;cyclocoumarol;cyclocumarol;cyclocumarol, (2R-trans)-isomer;cyclocumarol, (2S-cis)-isomer;cyclocumarol, (2S-trans)-isomer;cyclocumarol, (trans)-(+-)-isomer;methanopyranorin;methopyranorin

Suppliers and Price of Cyclocumarol

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

Sigma-Aldrich
Pyranocoumarin PESTANAL
250mg
$ 61.00

American Custom Chemicals Corporation
CYCLOCUMAROL 95.00%
5MG
$ 505.99

Total 13 raw suppliers

Chemical Property of Cyclocumarol

Chemical Property:

Vapor Pressure:1.07E-09mmHg at 25°C
Melting Point:166°
Boiling Point:488.6°C at 760 mmHg
Flash Point:216.2°C
PSA：48.67000
Density:1.27g/cm³
LogP:4.07000
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:322.12050905
Heavy Atom Count:24
Complexity:534

Purity/Quality:

98%min ^*data from raw suppliers

Pyranocoumarin PESTANAL ^*data from reagent suppliers

Safty Information:

Pictogram(s): T+
Hazard Codes:T+
Statements: 27
Safety Statements: 28-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1(CC(C2=C(O1)C3=CC=CC=C3OC2=O)C4=CC=CC=C4)OC
Uses Pyranocoumarin is useful in studying the antioxidant activity of different types of coumarin compounds via an in-silico model of DPPH.

Technology Process of Cyclocumarol

There total 9 articles about Cyclocumarol 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: 53.0%

: 67-56-1
methanol

: 81-81-2
warfarin

: 518-20-7,54288-87-8,54288-88-9,64753-99-7,64754-00-3,64754-01-4,65207-43-4,94902-10-0
2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5(2H)-one

: 2-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one

Guidance literature:: With hydrogenchloride; for 23h; Reflux;
DOI:10.1016/j.ejmech.2018.01.054

Reference yield:

: 67-56-1
methanol

: 113950-47-3
warfarin

: 518-20-7
pyranocoumarin

Guidance literature:: With hydrogenchloride;
DOI:10.1021/ja01128a004

Reference yield:

: 4438-85-1
3H-chromene-2,4-dione

: 518-20-7
pyranocoumarin

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine

2: aqueous hydrochloric acid

With pyridine; hydrogenchloride;
DOI:10.1021/ja01234a019