Estra-1,3,5(10)-trien-17-one, 3-hydroxy-16-(phenylseleno)-, (16alpha)-

Base Information

Chemical Name:Estra-1,3,5(10)-trien-17-one, 3-hydroxy-16-(phenylseleno)-, (16alpha)-
CAS No.:77862-30-7
Molecular Formula:C₂₄H₂₆O₂Se
Molecular Weight:425.429
Hs Code.:
DSSTox Substance ID:DTXSID101165498
ChEMBL ID:CHEMBL1627828

Synonyms:CHEMBL1627828;DTXSID101165498;Estra-1,3,5(10)-trien-17-one, 3-hydroxy-16-(phenylseleno)-, (16alpha)-;77862-30-7

Suppliers and Price of Estra-1,3,5(10)-trien-17-one, 3-hydroxy-16-(phenylseleno)-, (16alpha)-

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Estra-1,3,5(10)-trien-17-one, 3-hydroxy-16-(phenylseleno)-, (16alpha)-

Chemical Property:

Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:426.10980
Heavy Atom Count:27
Complexity:571

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC12CCC3C(C1CC(C2=O)[Se]C4=CC=CC=C4)CCC5=C3C=CC(=C5)O
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)[Se]C4=CC=CC=C4)CCC5=C3C=CC(=C5)O

Technology Process of Estra-1,3,5(10)-trien-17-one, 3-hydroxy-16-(phenylseleno)-, (16alpha)-

There total 6 articles about Estra-1,3,5(10)-trien-17-one, 3-hydroxy-16-(phenylseleno)-, (16alpha)- 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: 84.0%

: 77862-29-4
(8R,9S,13S,14S,16R)-13-Methyl-16-phenylselanyl-3-(tetrahydro-pyran-2-yloxy)-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one

: 77862-30-7
16α-(Phenylseleno)estra-1,3,5(10)-trien-3-ol-17-one

Guidance literature:: With toluene-4-sulfonic acid; In ethanol; water; at 40 ℃; for 3h;
DOI:10.1021/jm00354a019

Reference yield:

: 5707-04-0
Phenylselenyl chloride

: 77862-30-7
16α-(Phenylseleno)estra-1,3,5(10)-trien-3-ol-17-one

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) LDA / 1.) THF, hexane, 15 min, 2.) THF, hexane

2: 84 percent / p-TsOH / ethanol; H₂O / 3 h / 40 °C

With toluene-4-sulfonic acid; lithium diisopropyl amide; In ethanol; water;
DOI:10.1021/jm00354a019