(E)-3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one

Base Information

Chemical Name:(E)-3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
CAS No.:6962-62-5
Molecular Formula:C16H12 O5
Molecular Weight:284.268
Hs Code.:
NSC Number:37437
DSSTox Substance ID:DTXSID30417960
Wikidata:Q82228210
ChEMBL ID:CHEMBL1711997

Synonyms:6962-62-5;MLS002608039;(E)-3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one;2',4'-Dihydroxy-3,4-methylenedioxychalcone;NSC37437;CHEMBL1711997;SCHEMBL13905820;DTXSID30417960;HMS3078P24;NSC-37437;SMR001526791

Suppliers and Price of (E)-3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-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 (E)-3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one

Chemical Property:

Vapor Pressure:2.9E-11mmHg at 25°C
Boiling Point:515.9°C at 760 mmHg
Flash Point:197.1°C
Density:1.436g/cm³
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:284.06847348
Heavy Atom Count:21
Complexity:408

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=C(C=C(C=C3)O)O
Isomeric SMILES:C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=C(C=C(C=C3)O)O

Technology Process of (E)-3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one

There total 9 articles about (E)-3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-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: 69.0%

: C₂₂H₂₀O₅

: 6962-62-5
3-benzo[1,3] dioxo-5-yl-1-(2,4-dihydroxyphenyl)-prop-2-en-1-one

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; ammonium formate; In tetrahydrofuran; at 120 ℃; for 0.5h; Microwave irradiation; Inert atmosphere;
DOI:10.5012/bkcs.2014.35.5.1294

Reference yield: 39.0%

: 89-84-9
2',4'-dihydroxy-4-acetophenone

: 120-57-0,30024-74-9
piperonal

: 6962-62-5
(E)-3-(benzo[d][1,3]dioxol-5-yl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one

Guidance literature:: With (per)acetylperoxyboric acid; In ethylene glycol; at 120 ℃; for 6h;
DOI:10.1007/s00044-009-9202-z

Reference yield:

: 89-84-9
2',4'-dihydroxy-4-acetophenone

: 6962-62-5
3-benzo[1,3] dioxo-5-yl-1-(2,4-dihydroxyphenyl)-prop-2-en-1-one

Guidance literature:: Multi-step reaction with 3 steps

1: potassium carbonate / N,N-dimethyl-formamide

2: potassium hydroxide / methanol / 24 h / 50 °C / Inert atmosphere

3: bis-triphenylphosphine-palladium(II) chloride; ammonium formate / tetrahydrofuran / 0.5 h / 120 °C / Microwave irradiation; Inert atmosphere

With bis-triphenylphosphine-palladium(II) chloride; ammonium formate; potassium carbonate; potassium hydroxide; In tetrahydrofuran; methanol; N,N-dimethyl-formamide; 2: |Claisen-Schmidt Condensation;
DOI:10.5012/bkcs.2014.35.5.1294