4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone

Base Information

Chemical Name:4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone
CAS No.:111570-63-9
Molecular Formula:C₂₂H₂₀N₂O₆
Molecular Weight:408.411
Hs Code.:
Mol file:111570-63-9.mol

Synonyms:111570-63-9;BRN 5175796;4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone;3H-Indazol-3-one, 2,3a,4,5-tetrahydro-4-(1,3-benzodioxol-5-yl)-6-(2-hydroxy-4,6-dimethoxyphenyl)-;(6E)-4-benzo[1,3]dioxol-5-yl-6-(2,4-dimethoxy-6-oxo-1-cyclohexa-2,4-di enylidene)-2,3a,4,5-tetrahydr;4-(1,3-benzodioxol-5-yl)-6-(2-hydroxy-4,6-dimethoxyphenyl)-2,3a,4,5-tetrahydroindazol-3-one;VTJFDXQOHBMFHN-NDENLUEZSA-N;LS-81578;(6E)-4-BENZO[1,3]DIOXOL-5-YL-6-(2,4-DIMETHOXY-6-OXO-1-CYCLOHEXA-2,4-DI ENYLIDENE)-2,3A,4,5-TETRAHYDRO-1H-INDAZOL-3-ONE

Suppliers and Price of 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone

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
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Total 1 raw suppliers

Chemical Property of 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：98.61000
Density:1.44g/cm³
LogP:2.58170
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:408.13213636
Heavy Atom Count:30
Complexity:739

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=C(C(=C1)OC)C2=CC3=NNC(=O)C3C(C2)C4=CC5=C(C=C4)OCO5)O

Technology Process of 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone

There total 2 articles about 4-(1,3-Benzodioxol-5-yl)-2,3a,4,5-tetrahydro-6-(2-hydroxy-4,6-dimethoxyphenyl)-3-indazolone 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: 12.0%

: 111570-59-3
6-Benzo[1,3]dioxol-5-yl-4-(2-hydroxy-4,6-dimethoxy-phenyl)-2-oxo-cyclohex-3-enecarboxylic acid ethyl ester

: 111570-63-9
4-Benzo[1,3]dioxol-5-yl-6-(2-hydroxy-4,6-dimethoxy-phenyl)-2,3a,4,5-tetrahydro-indazol-3-one

: 111570-64-0
4-Benzo[1,3]dioxol-5-yl-6-(2-hydroxy-4,6-dimethoxy-phenyl)-4,5-dihydro-1H-indazol-3-ol

Guidance literature:: With hydrazine hydrate; acetic acid; In ethanol; for 4h; Heating;

Reference yield:

: 84161-84-2
(E)-1-(2′-hydroxy-4′,6′-dimethoxyphenyl)-3-(benzo[d] [1,3]dioxol-5-yl)prop-2-en-1-one

: 111570-63-9
4-Benzo[1,3]dioxol-5-yl-6-(2-hydroxy-4,6-dimethoxy-phenyl)-2,3a,4,5-tetrahydro-indazol-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: 78 percent / potassium carbonate / acetone / 25 h / Ambient temperature

2: 70 percent / hydrazine hydrate, acetic acid / ethanol / 4 h / Heating

With potassium carbonate; hydrazine hydrate; acetic acid; In ethanol; acetone;