2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one

Base Information

Chemical Name:2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one
CAS No.:54401-45-5
Molecular Formula:C16H10O4
Molecular Weight:266.2482
Hs Code.:
NSC Number:102045
DSSTox Substance ID:DTXSID60295455
Nikkaji Number:J3.104.667J
Wikidata:Q27452477
Pharos Ligand ID:BBV4CR1LCH1C
ChEMBL ID:CHEMBL483633

Synonyms:2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one;NSC-102045;54401-45-5;NSC102045;4l2k;Maybridge3_002982;ChemDiv2_003967;Oprea1_271610;MLS000089863;CHEMBL483633;DTXSID60295455;HMS1380E07;HMS1439H12;HMS2499H05;CCG-18945;STL510844;AKOS001656444;IDI1_002682;IDI1_014369;SMR000024481;2-benzo[1,3]dioxol-5-yl-chromen-4-one;EU-0042527;SR-01000471685;2-(benzo[d][1,3]dioxol-5-yl)-4H-chromen-4-one;SR-01000471685-1;SR-01000471685-3;Q27452477;1V8

Suppliers and Price of 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one

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

Total 5 raw suppliers

Chemical Property of 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one

Chemical Property:

Vapor Pressure:1.6E-07mmHg at 25°C
Boiling Point:427.7°C at 760 mmHg
Flash Point:192.5°C
Density:1.397g/cm³
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:266.05790880
Heavy Atom Count:20
Complexity:430

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1OC2=C(O1)C=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3

Technology Process of 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one

There total 18 articles about 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one 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%

: 2635-13-4
1,2-(methylenedioxy)-4-bromobenzene

: 201230-82-2
carbon monoxide

: 118-93-4,104809-67-8
o-hydroxyacetophenone

: 54401-45-5
2-(benzo[d][1,3]dioxol-5-yl)-4H-chromen-4-one

Guidance literature:: With palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; 1,4-di(diphenylphosphino)-butane; In dimethyl sulfoxide; at 120 ℃; for 16h; under 3750.38 Torr; Autoclave;
DOI:10.1002/chem.201202141

Reference yield: 83.0%

: 491-38-3
1-benzopyran-4(4H)-one

: 5876-51-7
5-iodo-1,3-benzodioxole

: 54401-45-5
2-(benzo[d][1,3]dioxol-5-yl)-4H-chromen-4-one

Guidance literature:: 1-benzopyran-4(4H)-one; With bis(2,2,6,6-tetramethylpiperidinyl)zinc, lithium chloride, magnesium chloride complex; In tetrahydrofuran; at -30 ℃; for 1h; Inert atmosphere;

5-iodo-1,3-benzodioxole; With bis(dibenzylideneacetone)-palladium⁽⁰⁾; tris-(2-furyl)phosphine; In tetrahydrofuran; at 25 ℃; for 1h; regioselective reaction; Inert atmosphere;
DOI:10.1021/ja306178q

Reference yield: 80.0%

: 1346936-76-2
C₁₆H₁₂O₃

: 54401-45-5
2-(benzo[d][1,3]dioxol-5-yl)-4H-chromen-4-one

Guidance literature:: With tert.-butylhydroperoxide; copper(ll) bromide; In decane; toluene; at 80 ℃; for 0.25h; Inert atmosphere;
DOI:10.1016/j.tetlet.2016.03.006