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

Base Information

Chemical Name:(2E)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CAS No.:88775-45-5
Molecular Formula:C18H16O5
Molecular Weight:312.322
Hs Code.:
NSC Number:655441,156626
DSSTox Substance ID:DTXSID60419336
Nikkaji Number:J2.669.398E
Wikidata:Q82230309
ChEMBL ID:CHEMBL512571

Synonyms:NSC655441;(2E)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one;88775-45-5;MLS001360243;CHEMBL512571;DTXSID60419336;HMS3062O09;NSC156626;STK317821;(E)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one;AKOS001307134;NSC-156626;NSC-655441;SMR001224096;AB00760750-01;Z46059540;1-(1,3-Benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one;(E)-1-(1,3-Benzodioxole-5-yl)-3-(3,4-dimethoxyphenyl)-2-propene-1-one;2-Propen-1-one,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-, (E)-

Suppliers and Price of (2E)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)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 4 raw suppliers

Chemical Property of (2E)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one

Chemical Property:

Vapor Pressure:5.87E-10mmHg at 25°C
Boiling Point:495.5°C at 760 mmHg
Flash Point:220.5°C
Density:1.254g/cm³
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:312.09977361
Heavy Atom Count:23
Complexity:435

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCO3)OC
Isomeric SMILES:COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCO3)OC

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

There total 7 articles about (2E)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)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:

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

: 88775-45-5
(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one

Guidance literature:: Multi-step reaction with 3 steps

1: 10.7 g / Mg / diethyl ether / 0.75 h / Ambient temperature

2: 8.99 g / CrO₃/conc. H₂SO₄ / H₂O; acetone / 1 h / 10 °C

3: 122.2 g / 10percent aq. NaOH / ethanol / Ambient temperature

With chromium(VI) oxide; sodium hydroxide; sulfuric acid; magnesium; In diethyl ether; ethanol; water; acetone;
DOI:10.1248/cpb.31.3024

Reference yield:

: 6329-73-3,91613-73-9,120523-14-0
1-benzo[1,3]dioxol-5-yl-ethanol

: 88775-45-5
(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: 8.99 g / CrO₃/conc. H₂SO₄ / H₂O; acetone / 1 h / 10 °C

2: 122.2 g / 10percent aq. NaOH / ethanol / Ambient temperature

With chromium(VI) oxide; sodium hydroxide; sulfuric acid; In ethanol; water; acetone;
DOI:10.1248/cpb.31.3024

Reference yield:

: 274-09-9
Methylenedioxybenzene

: 88775-45-5
(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: zinc(II) chloride / 12 h / 20 °C

2: sodium hydroxide / ethanol; water / 4 h / 15 - 30 °C

With sodium hydroxide; zinc(II) chloride; In ethanol; water; 1: |Friedel-Crafts Acylation / 2: |Claisen-Schmidt Condensation;
DOI:10.1007/s00044-014-0952-x