Episesamin

Base Information Edit

Chemical Name:Episesamin
CAS No.:133-05-1
Molecular Formula:C₂₀H₁₈O₆
Molecular Weight:354.359
Hs Code.:29329990
UNII:F6PWY73ZGT,C3RVX72NMG
DSSTox Substance ID:DTXSID201033462
Nikkaji Number:J10.014E
Metabolomics Workbench ID:134000
ChEMBL ID:CHEMBL43469
Mol file:133-05-1.mol

Synonyms:1-asarinine

Suppliers and Price of Episesamin

Supply Marketing:Edit

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

TRC
(-)-Asarinin
2.5mg
$ 250.00

TRC
(-)-Asarinin
1mg
$ 140.00

Sigma-Aldrich
(?)-Asarinin ≥98% (HPLC)
10mg
$ 309.00

Arctom
Asarinin ≥98%
20mg
$ 138.00

ApexBio Technology
Asarinin
20mg
$ 390.00

Total 27 raw suppliers

Chemical Property of Episesamin Edit

Chemical Property:

Vapor Pressure:8.38E-10mmHg at 25°C
Melting Point:120-122 °C(lit.)
Boiling Point:504.4°Cat760mmHg
Flash Point:212.3°C
PSA：55.38000
Density:1.385g/cm³
LogP:3.21920
Storage Temp.:-20°C
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:354.11033829
Heavy Atom Count:26
Complexity:482

Purity/Quality:

98%,99%, ^*data from raw suppliers

(-)-Asarinin ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
Isomeric SMILES:C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)[C@@H](O1)C5=CC6=C(C=C5)OCO6

Technology Process of Episesamin

There total 163 articles about Episesamin 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: 96.0%

: (1S,3aR,4S,6aR)-1,4-bis(6-bromobenzo[d][1,3]dioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan

: 133-03-9,133-04-0,133-05-1,551-30-4,7076-24-6,13079-95-3,68509-46-6,81602-22-4,105661-97-0,111465-32-8,111465-33-9,607-80-7
sesamin

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; sodium formate; In N,N-dimethyl-formamide; at 80 ℃; for 12h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;
DOI:10.1016/j.tet.2020.131483

Reference yield: 60.0%

: 63398-39-0
4,8-dihydroxysesamin

: 133-03-9,133-04-0,133-05-1,551-30-4,7076-24-6,13079-95-3,68509-46-6,81602-22-4,105661-97-0,111465-32-8,111465-33-9,607-80-7
sesamin

Guidance literature:: With triethylsilane; boron trifluoride diethyl etherate; In dichloromethane; at -78 ℃; for 1h;
DOI:10.1016/j.tetasy.2005.11.007

Reference yield: 12.0%

: 17680-04-5
(3,4-methylenedioxy)phenylmagnesium bromide

: 166239-82-3
(+)-samin

: 133-03-9,133-04-0,133-05-1,551-30-4,7076-24-6,13079-95-3,68509-46-6,81602-22-4,105661-97-0,111465-32-8,111465-33-9,607-80-7
sesamin

: 133-04-0,133-05-1,551-30-4,607-80-7,7076-24-6,13079-95-3,68509-46-6,81602-22-4,105661-97-0,111465-32-8,111465-33-9,133-03-9
episesamin

Guidance literature:: (3,4-methylenedioxy)phenylmagnesium bromide; (+)-samin; In tetrahydrofuran; at 40 ℃; Inert atmosphere;

With pyridine; methanesulfonyl chloride; In tetrahydrofuran; dichloromethane; at 20 ℃; for 24h; Inert atmosphere;
DOI:10.1039/d0cc05640e