3-(1,3-Benzodioxol-5-yl)acrylaldehyde

Base Information Edit

Chemical Name:3-(1,3-Benzodioxol-5-yl)acrylaldehyde
CAS No.:58095-77-5
Molecular Formula:C10H8O3
Molecular Weight:176.17
Hs Code.:
European Community (EC) Number:238-816-6,864-677-1
DSSTox Substance ID:DTXSID301291225
Nikkaji Number:J227.175C,J659.997D
Metabolomics Workbench ID:127893
ChEMBL ID:CHEMBL2299415
Mol file:58095-77-5.mol

Synonyms:58095-77-5;3,4-Methylenedioxycinnamaldehyde;14756-00-4;(2E)-3-(2H-1,3-BENZODIOXOL-5-YL)PROP-2-ENAL;(2E)-3-(1,3-dioxaindan-5-yl)prop-2-enal;3-(1,3-Benzodioxol-5-yl)acrylaldehyde;2-Propenal, 3-(1,3-benzodioxol-5-yl)-;(E)-3-(1,3-benzodioxol-5-yl)prop-2-enal;1,3-Benzodioxole-5-acrolein;3,4-Methylendioxy-zimtaldehyd;SCHEMBL2757691;CHEMBL2299415;HZUFMSJUNLSDSZ-OWOJBTEDSA-N;DTXSID301291225;STK029556;(E)-3,4-Methylenedioxycinnamaldehyde;AKOS005380753;NCGC00170990-01;PK04_096311;(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enal;EN300-1703969;(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenal #;BRD-K84921179-001-01-4;Z1251353395

Suppliers and Price of 3-(1,3-Benzodioxol-5-yl)acrylaldehyde

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-(1,3-Benzodioxol-5-yl)acrylaldehyde Edit

Chemical Property:

Melting Point:78 °C
Boiling Point:326.3±11.0 °C(Predicted)
PSA：35.53000
Density:1.268±0.06 g/cm3(Predicted)
LogP:1.62740
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:176.047344113
Heavy Atom Count:13
Complexity:212

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
Isomeric SMILES:C1OC2=C(O1)C=C(C=C2)/C=C/C=O
Uses (E)-3,4-Methylenedioxycinnamaldehyde is a proposed intermediate in the synthesis of 3-Hydroxyhispidin (H943133), a derivative of Hispidin. Hispidin (H436450) is a naturally occuring precursor to fungal luciferin responsible for luminosity in mushrooms.

Technology Process of 3-(1,3-Benzodioxol-5-yl)acrylaldehyde

There total 37 articles about 3-(1,3-Benzodioxol-5-yl)acrylaldehyde 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: 97.0%

: 58095-76-4
(E)-3-(benzo[d][1,3]dioxol-5-yl)prop-2-en-1-ol

: 58095-77-5,14756-00-4,821775-38-6
(E)-3,4-methylenedioxycinnamaldehyde

Guidance literature:: With manganese(IV) oxide; In dichloromethane; at 20 ℃; for 24h;
DOI:10.1021/ol1021614

Reference yield: 95.0%

: 4,4,5,5-tetramethyl-2-[(1E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dioxolane

: 58095-77-5,14756-00-4,821775-38-6
(E)-3,4-methylenedioxycinnamaldehyde

Guidance literature:: With phosphoric acid; stereoselective reaction;
DOI:10.1080/10426507.2014.980907

Reference yield: 94.0%

: 27064-04-6
S-(4-nitrophenyl) thioformate

: C₉H₇BrO₂Zn*LiCl

: 58095-77-5,14756-00-4,821775-38-6
(E)-3,4-methylenedioxycinnamaldehyde

Guidance literature:: With tris(3,5-difluorophenyl)phosphine; palladium diacetate; zinc dibromide; In tetrahydrofuran; at -20 ℃; for 0.166667h; Schlenk technique;
DOI:10.1002/ejoc.201701753