(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

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.:1238-31-9
Molecular Formula:C₂₁H₂₈O₃
Molecular Weight:328.452
Hs Code.:
DSSTox Substance ID:DTXSID40447450
Nikkaji Number:J27.414C
Wikidata:Q82266326

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:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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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]

Chemical Property:

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:

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

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 10 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: 61.0%

: 900-83-4
233-D₄

: 616-38-6
carbonic acid dimethyl ester

: 1238-31-9,3941-81-9,6472-72-6,17519-82-3,28336-29-0
opt.-inakt. 17-Ethylendioxy-3-methoxy-oestra-(1,3,5(10))-trien

Guidance literature:: With 18-crown-6 ether; potassium carbonate; at 100 ℃; for 8h;
DOI:10.1055/s-1986-31642

Reference yield:

: 139557-99-6
C₂₁H₂₆O₄

: 1238-31-9,3941-81-9,6472-72-6,17519-82-3,28336-29-0
C₂₁H₂₈O₃

Guidance literature:: With hydrogen; acetic acid; palladium on activated charcoal; for 3h; under 2585.7 Torr;
DOI:10.1039/c39920000164

Reference yield:

: 818-57-5
Methyl 4-pentenoate

: 1238-31-9,3941-81-9,6472-72-6,17519-82-3,28336-29-0
C₂₁H₂₈O₃

Guidance literature:: Multi-step reaction with 7 steps

1: 29 percent / toluene / 6 h / 65 °C / 7757.2 Torr

2: 1.) CuI, Me₂S, 2.) hexamethylphosphoric triamide (HMPA) / 1.) THF, -60 deg C, 2.) -40 deg C

3: TsOH / benzene / Heating

4: NaOH / methanol

5: dicyclohexylcarbodiimide (DCC), 4-N,N-dimethylaminopyridine (DMAP)

6: 1.) BuLi, 2.) AcOH / 1.) THF, Et₂O, hexane, -100 deg C, 2.) 100 deg C, 30 min

7: H₂, AcOH / 10percent Pd/C / 3 h / 2585.7 Torr

With N,N,N,N,N,N-hexamethylphosphoric triamide; dmap; sodium hydroxide; copper(l) iodide; n-butyllithium; dimethylsulfide; hydrogen; toluene-4-sulfonic acid; acetic acid; dicyclohexyl-carbodiimide; palladium on activated charcoal; In methanol; toluene; benzene;
DOI:10.1039/c39920000164