Paulownin

Base Information

Chemical Name:Paulownin
CAS No.:13040-46-5
Molecular Formula:C₂₀H₁₈O₇
Molecular Weight:370.359
Hs Code.:2932999099
European Community (EC) Number:802-677-5
DSSTox Substance ID:DTXSID10156507
Nikkaji Number:J238.572D
Wikidata:Q72499581
Metabolomics Workbench ID:137960
ChEMBL ID:CHEMBL479911
Mol file:13040-46-5.mol

Synonyms:paulownin

Suppliers and Price of Paulownin

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

Sigma-Aldrich
Paulownin ≥95% (LC/MS-ELSD)
1mg
$ 360.00

DC Chemicals
Paulownin 99.87%
100 mg
$ 650.00

DC Chemicals
Paulownin 99.87%
1 g
$ 2500.00

DC Chemicals
Paulownin 99.87%
250 mg
$ 1200.00

Crysdot
Paulownin 95+%
5mg
$ 680.00

Arctom
Paulownin ≥98%
5mg
$ 463.00

Total 32 raw suppliers

Chemical Property of Paulownin

Chemical Property:

Vapor Pressure:3.73E-13mmHg at 25°C
Boiling Point:555°C at 760 mmHg
PKA:13.16±0.60(Predicted)
Flash Point:289.5°C
PSA：75.61000
Density:1.496g/cm³
LogP:2.33410
Storage Temp.:?20°C
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:370.10525291
Heavy Atom Count:27
Complexity:573

Purity/Quality:

≥98% ^*data from raw suppliers

Paulownin ≥95% (LC/MS-ELSD) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:N
Statements: 50
Safety Statements: 61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2C(OCC2(C(O1)C3=CC4=C(C=C3)OCO4)O)C5=CC6=C(C=C5)OCO6
Isomeric SMILES:C1[C@@H]2[C@H](OC[C@@]2([C@H](O1)C3=CC4=C(C=C3)OCO4)O)C5=CC6=C(C=C5)OCO6
Uses Paulownine portrays anti-inflammatory effects by suppressing expression of iNOS and TNF.

Technology Process of Paulownin

There total 9 articles about Paulownin 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: 69.0%

: Acetic acid (3R,4R,5S)-3-((R)-acetoxy-benzo[1,3]dioxol-5-yl-methyl)-4-acetoxymethyl-5-benzo[1,3]dioxol-5-yl-tetrahydro-furan-3-yl ester

: 13040-46-5
paulownin

Guidance literature:: With pyridinium p-toluenesulfonate; In dichloromethane; for 12h; Heating;
DOI:10.1271/bbb.61.743

Reference yield:

: 331686-45-4
(4R,5S)-5-(3,4-methylenedioxyphenyl)-4-[(3,4-methylenedioxyphenyl)methoxymethyl]dihydro-3(2H)-furanone

: 13040-46-5
paulownin

: 121123-80-6
neopaulowinin

Guidance literature:: With rose bengal; In methanol; benzene; at 20 ℃; for 2h; Irradiation;
DOI:10.1271/bbb.65.29

Reference yield:

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

: 13040-46-5
paulownin

Guidance literature:: Multi-step reaction with 5 steps

1.1: 80 percent / LDA / tetrahydrofuran / -78 °C

2.1: LiAlH₄ / tetrahydrofuran / -10 - 20 °C

2.2: 73 percent / p-TsOH / CH₂Cl₂ / 20 °C

3.1: 69 percent / p-TsOH / CH₂Cl₂ / 17 h / 20 °C

4.1: 96 percent / oxalyl chloride; DMSO / CH₂Cl₂ / 1.4 h / -78 - -45 °C

5.1: rose bengal / benzene; methanol / 2 h / 20 °C / Irradiation

With lithium aluminium tetrahydride; oxalyl dichloride; rose bengal; toluene-4-sulfonic acid; dimethyl sulfoxide; lithium diisopropyl amide; In tetrahydrofuran; methanol; dichloromethane; benzene; 4.1: Swern oxidation;
DOI:10.1271/bbb.65.29