Justicidin F

Base Information

Chemical Name:Justicidin F
CAS No.:30403-00-0
Molecular Formula:C₂₁H₁₄O₇
Molecular Weight:378.338
Hs Code.:
UNII:T2Y57C9S7P
ChEMBL ID:CHEMBL495475
DSSTox Substance ID:DTXSID70184487
Metabolomics Workbench ID:139093
Nikkaji Number:J20.710A
Wikidata:Q27289591
Mol file:30403-00-0.mol

Synonyms:Justicidin F;Taiwanin E methyl ether;30403-00-0;UNII-T2Y57C9S7P;T2Y57C9S7P;9-(1,3-benzodioxol-5-yl)-5-methoxy-6H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(8H)-one, 5-(1,3-benzodioxol-5-yl)-9-methoxy-;Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(8H)-one, 9-methoxy-5-(3,4-(methylenedioxy)phenyl)-;TAIWAN E METHYL ETHER(RG);CHEMBL495475;SCHEMBL11954034;DTXSID70184487;BBROIWXMVHRRMJ-UHFFFAOYSA-N;Q27289591;5-(1,3-benzodioxol-5-yl)-9-methoxy-furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one

Suppliers and Price of Justicidin F

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 5 raw suppliers

Chemical Property of Justicidin F

Chemical Property:

Melting Point:227～230℃
Boiling Point:667.2±55.0 °C(Predicted)
PSA：72.45000
Density:1.502±0.06 g/cm3(Predicted)
LogP:3.64320
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:378.07395278
Heavy Atom Count:28
Complexity:626

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C2COC(=O)C2=C(C3=CC4=C(C=C31)OCO4)C5=CC6=C(C=C5)OCO6

Technology Process of Justicidin F

There total 12 articles about Justicidin F 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: 88.0%

: 22743-05-1
5-(1,3-benzodioxol-5-yl)-9-hydroxyfuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one

: 74-88-4
methyl iodide

: 30403-00-0
taiwanin E methyl ether

Guidance literature:: With potassium carbonate; In acetone; at 0 - 20 ℃; for 2h;
DOI:10.1002/ejoc.201601611

Reference yield:

: 1621253-39-1
6-formyl-N,N-dimethylbenzo[d][1,3]dioxole-5-carboxamide

: 30403-00-0
taiwanin E methyl ether

Guidance literature:: Multi-step reaction with 6 steps

1.1: 18-crown-6 ether / dichloromethane / 12 h / 0 - 20 °C / Inert atmosphere

2.1: acetic acid / 20 °C

3.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.5 h / -78 °C

3.2: -78 - -30 °C

3.3: 2 h

4.1: pyridine / dichloromethane / 2 h / 0 - 20 °C

5.1: palladium diacetate; tricyclohexylphosphine; caesium carbonate / water; 1,4-dioxane / 17 h / 120 °C

6.1: potassium carbonate / acetone / 2 h / 0 - 20 °C

With pyridine; 18-crown-6 ether; palladium diacetate; potassium carbonate; caesium carbonate; acetic acid; lithium hexamethyldisilazane; tricyclohexylphosphine; In tetrahydrofuran; 1,4-dioxane; dichloromethane; water; acetone; 3.1: |Hauser-Kraus Annulation / 3.2: |Hauser-Kraus Annulation;
DOI:10.1002/ejoc.201601611

Reference yield:

: 1621253-40-4
7-oxo-5,7-dihydro[1,3]dioxolo[4,5-f]isobenzofuran-5-carbonitrile

: 30403-00-0
taiwanin E methyl ether

Guidance literature:: Multi-step reaction with 4 steps

1.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.5 h / -78 °C

1.2: -78 - -30 °C

1.3: 2 h

2.1: pyridine / dichloromethane / 2 h / 0 - 20 °C

3.1: palladium diacetate; tricyclohexylphosphine; caesium carbonate / water; 1,4-dioxane / 17 h / 120 °C

4.1: potassium carbonate / acetone / 2 h / 0 - 20 °C

With pyridine; palladium diacetate; potassium carbonate; caesium carbonate; lithium hexamethyldisilazane; tricyclohexylphosphine; In tetrahydrofuran; 1,4-dioxane; dichloromethane; water; acetone; 1.1: |Hauser-Kraus Annulation / 1.2: |Hauser-Kraus Annulation;
DOI:10.1002/ejoc.201601611