(E)-3-[(2R,3R)-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal

Base Information

Chemical Name:(E)-3-[(2R,3R)-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
CAS No.:109063-85-6
Molecular Formula:C₁₈H₁₆O₆
Molecular Weight:328.321
Hs Code.:
DSSTox Substance ID:DTXSID201317133
Nikkaji Number:J1.104.770J
Wikidata:Q105250584

Synonyms:(E)-3-[(2R,3R)-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal;CHEBI:174397;DTXSID201317133;109063-85-6

Suppliers and Price of (E)-3-[(2R,3R)-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal

Supply Marketing:

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

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Chemical Property of (E)-3-[(2R,3R)-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:328.09468823
Heavy Atom Count:24
Complexity:453

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C1C=CC=O)OC(C(O2)CO)C3=CC(=C(C=C3)O)O
Isomeric SMILES:C1=CC2=C(C=C1/C=C/C=O)O[C@@H]([C@H](O2)CO)C3=CC(=C(C=C3)O)O

Technology Process of (E)-3-[(2R,3R)-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal

There total 13 articles about (E)-3-[(2R,3R)-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal 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: 82.0%

: 114590-90-8
(E)-3-[(2S,3S)-3-(3,4-Bis-methoxymethoxy-phenyl)-2-hydroxymethyl-2,3-dihydro-benzo[1,4]dioxin-6-yl]-propenal

: 74708-36-4,109063-85-6,133906-61-3
(7'E)-(7α,8β)-3,4,9-trihydroxy-3',7-epoxy-8,4'-oxyneolign-7'-en-9'-al

Guidance literature:: With hydrogenchloride; In methanol; for 2h; Ambient temperature;
DOI:10.1248/cpb.35.3603

Reference yield: 75.0%

: (7'E)-(7α,8β)-3,4,9,9'-tetrahydroxy-3',7-epoxy-8,4'-oxyneolign-7'-ene

: 74708-36-4,109063-85-6,133906-61-3
(7'E)-(7α,8β)-3,4,9-trihydroxy-3',7-epoxy-8,4'-oxyneolign-7'-en-9'-al

Guidance literature:: With manganese(IV) oxide; silica gel; In tetrahydrofuran; for 18h; Ambient temperature;

Reference yield:

: 331-39-5,501-16-6
caffeic acid

: 74708-36-4,109063-85-6,133906-61-3
(7'E)-(7α,8β)-3,4,9-trihydroxy-3',7-epoxy-8,4'-oxyneolign-7'-en-9'-al

Guidance literature:: Multi-step reaction with 4 steps

1: 95 percent / H₂SO₄ / Heating

2: 60 percent / LiAlH₄, AlCl₃

3: 85 percent / Ag₂O / tetrahydrofuran / 8 h / Ambient temperature

4: 75 percent / MnO₂/SiO₂ / tetrahydrofuran / 18 h / Ambient temperature

With manganese(IV) oxide; lithium aluminium tetrahydride; aluminium trichloride; sulfuric acid; silica gel; silver(l) oxide; In tetrahydrofuran;