(8'R,9'S,13'S,14'S)-3'-methoxy-13'-methylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]

Base Information Edit

Chemical Name:(8'R,9'S,13'S,14'S)-3'-methoxy-13'-methylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]
CAS No.:28336-29-0
Molecular Formula:C21H28O3
Molecular Weight:328.452
Hs Code.:
DSSTox Substance ID:DTXSID40447450
Nikkaji Number:J27.414C
Wikidata:Q82266326
Mol file:28336-29-0.mol

Synonyms:28336-29-0;3-O-Methyl Estrone 17-(Ethanediyl Ketal);(8'R,9'S,13'S,14'S)-3'-methoxy-13'-methylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene];SCHEMBL11571900;DTXSID40447450;17,17-Ethylenebisoxy-3-methoxy-1,3,5(10)-estratriene;3-methoxy-13beta-methyl-17,17-(ethylenedioxy)gona-1,3,5(10)-triene

Suppliers and Price of (8'R,9'S,13'S,14'S)-3'-methoxy-13'-methylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]

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
3-O-MethylEstrone17-(EthanediylKetal)
5 g
$ 1320.00

TRC
3-O-MethylEstrone17-(EthanediylKetal)
2 g
$ 605.00

Total 4 raw suppliers

Chemical Property of (8'R,9'S,13'S,14'S)-3'-methoxy-13'-methylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene] Edit

Chemical Property:

Melting Point:100-101.5 °C
Boiling Point:459.7±45.0 °C(Predicted)
PSA：27.69000
Density:1.17±0.1 g/cm3(Predicted)
LogP:4.29440
Solubility.:Dichloromethane
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:328.20384475
Heavy Atom Count:24
Complexity:486

Purity/Quality:

97% ^*data from raw suppliers

3-O-MethylEstrone17-(EthanediylKetal) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC12CCC3C(C1CCC24OCCO4)CCC5=C3C=CC(=C5)OC
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CCC24OCCO4)CCC5=C3C=CC(=C5)OC
Uses Protected Estrone.

Technology Process of (8'R,9'S,13'S,14'S)-3'-methoxy-13'-methylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]

There total 23 articles about (8'R,9'S,13'S,14'S)-3'-methoxy-13'-methylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene] 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: 100.0%

: 900-83-4
(8R,9S,13S,14S)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2′-[1,3]dioxolan]-3-ol

: 74-88-4
methyl iodide

: 28336-29-0
17,17-ethylenedioxy-3-methoxyoestra-1,3,5⁽¹⁰⁾-triene

Guidance literature:: (8R,9S,13S,14S)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2′-[1,3]dioxolan]-3-ol; With sodium hydride; In tetrahydrofuran; for 0.5h; Inert atmosphere; Reflux;

methyl iodide; In tetrahydrofuran; for 1h; Inert atmosphere;
DOI:10.1016/j.steroids.2018.11.018

Reference yield: 99.0%

: 1624-62-0
estrone 3-methyl ether

: 107-21-1
ethylene glycol

: 28336-29-0
17,17-ethylenedioxy-3-methoxyoestra-1,3,5⁽¹⁰⁾-triene

Guidance literature:: ethylene glycol; With boron trifluoride diethyl etherate; orthoformic acid triethyl ester; at 25 ℃; for 0.25h;

estrone 3-methyl ether; In dichloromethane; at 25 ℃; for 5h;