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

Base Information

Chemical Name:(E)-3-(1,3-benzodioxol-5-yl)-1-(4-nitrophenyl)prop-2-en-1-one
CAS No.:92858-63-4
Molecular Formula:C16H11NO5
Molecular Weight:297.267
Hs Code.:
NSC Number:151211
DSSTox Substance ID:DTXSID00419315
Wikidata:Q82230282
ChEMBL ID:CHEMBL455453

Synonyms:92858-63-4;(E)-3-(1,3-benzodioxol-5-yl)-1-(4-nitrophenyl)prop-2-en-1-one;(2E)-3-(2H-1,3-Benzodioxol-5-yl)-1-(4-nitrophenyl)prop-2-en-1-one;CHEMBL455453;NSC151211;UPCMLD00WMAL366;DTXSID00419315;UPCMLD00WMAL366:002;BDBM50363136;MFCD00022995;NSC-151211;200263-32-7;2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(4-nitrophenyl)-, (2E)-

Suppliers and Price of (E)-3-(1,3-benzodioxol-5-yl)-1-(4-nitrophenyl)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 6 raw suppliers

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

Chemical Property:

Vapor Pressure:3.3E-10mmHg at 25°C
Boiling Point:502°Cat760mmHg
Flash Point:227.8°C
Density:1.396g/cm³
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:297.06372245
Heavy Atom Count:22
Complexity:450

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)C=CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Isomeric SMILES:C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

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

There total 3 articles about (E)-3-(1,3-benzodioxol-5-yl)-1-(4-nitrophenyl)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: 99.2%

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

: 100-19-6
(4-nitrophenyl)ethanone

: 92858-63-4
3-benzo[1,3]dioxol-5-yl-1-(4-nitro-phenyl)-propenone

Guidance literature:: (4-nitrophenyl)ethanone; With lithium hydroxide monohydrate; In methanol; at 20 ℃; for 1h;

piperonal; In methanol; at 20 ℃; for 3h;

Reference yield:

: 139-85-5
3,4-dihydroxybenzaldehyde

: 92858-63-4
3-benzo[1,3]dioxol-5-yl-1-(4-nitro-phenyl)-propenone

Guidance literature:: Multi-step reaction with 2 steps

1.1: potassium carbonate / acetone / 24 h / Inert atmosphere; Reflux

2.1: ethanol / 5 - 10 °C

2.2: 4 h / 20 °C

With potassium carbonate; In ethanol; acetone;
DOI:10.1016/j.bmcl.2012.12.010