6-Oxo-ethinylestradiol

Base Information Edit

Chemical Name:6-Oxo-ethinylestradiol
CAS No.:38002-18-5
Molecular Formula:C20H22O3
Molecular Weight:310.39
Hs Code.:2937230000
European Community (EC) Number:641-771-9
UNII:9M79F2839C
DSSTox Substance ID:DTXSID50191417
Nikkaji Number:J1.691.117H
Wikidata:Q27272730
Mol file:38002-18-5.mol

Synonyms:6-Oxo-ethinylestradiol;38002-18-5;6-Keto Ethynyl Estradiol;6-Oxo-ethinyl estradiol;6-Keto ethinyl estradiol;UNII-9M79F2839C;Ethinylestradiol impurity G [EP];9M79F2839C;(8R,9S,13S,14S,17R)-17-ethynyl-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-6-one;3,17beta-Dihydroxy-17alpha-ethynylestra-1,3,5(10)-trien-6-one;1,3,5(10)-ESTRATRIEN-17-ALPHA-ETHYNYL-3,17-BETA-DIOL-6-ONE;3,17-Dihydroxy-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yn-6-one;19-Norpregna-1,3,5(10)-trien-20-yn-6-one, 3,17-dihydroxy-, (17alpha)-;Ethinylestradiol Imp. G (EP);6-Oxoethinylestradiol;6-Ketoethinylestradiol;Ethinyl Estradiol Related Compound A;Ethinylestradiol Impurity G;SCHEMBL1896547;DTXSID50191417;AKOS032958276;ETHINYLESTRADIOL IMPURITY G [EP IMPURITY];Q27272730;3,17beta-Dihydroxy-17-ethynylestra-1,3,5(10)-triene-6-one;19-NORPREGNA-1,3,5(10)-TRIEN-20-YN-6-ONE, 3,17-DIHYDROXY-, (17.ALPHA.)-;3,17-DIHYDROXY-19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YN-6-ONE;3,17.BETA.-DIHYDROXY-17.ALPHA.-ETHYNYLESTRA-1,3,5(10)-TRIEN-6-ONE;3,17-Dihydroxy-19-nor-17?-pregna-1,3,5(10)-trien-20-yn-6-one (6-Oxoethinylestradiol;6-Ketoethinylestradiol);3,17-Dihydroxy-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yn-6-one (6-Oxoethinylestradiol

Suppliers and Price of 6-Oxo-ethinylestradiol

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
6-KetoEthynylEstradiol
50mg
$ 870.00

TRC
6-KetoEthynylEstradiol
5mg
$ 130.00

American Custom Chemicals Corporation
1,3,5(10)-ESTRATRIEN-17ALPHA-ETHYNYL-3,17BETA-DIOL-6-ONE 95.00%
50MG
$ 971.25

American Custom Chemicals Corporation
1,3,5(10)-ESTRATRIEN-17ALPHA-ETHYNYL-3,17BETA-DIOL-6-ONE 95.00%
5MG
$ 505.76

Total 8 raw suppliers

Chemical Property of 6-Oxo-ethinylestradiol Edit

Chemical Property:

Melting Point:228.6-229.5 °C
Boiling Point:487.8±45.0 °C(Predicted)
PKA:9.33±0.60(Predicted)
PSA：57.53000
Density:1.28±0.1 g/cm3(Predicted)
LogP:3.25280
Storage Temp.:Refrigerator
Solubility.:Chloroform (Slightly), Dioxane (Slightly), Methanol (Slightly)
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:310.15689456
Heavy Atom Count:23
Complexity:575

Purity/Quality:

99.90% ^*data from raw suppliers

6-KetoEthynylEstradiol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2(C#C)O)CC(=O)C4=C3C=CC(=C4)O
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC(=O)C4=C3C=CC(=C4)O
Uses An oxidative tranformation product of Norethindrone Acetate (N675990) and Ethynyl Estradiol (E685100).

Technology Process of 6-Oxo-ethinylestradiol

There total 12 articles about 6-Oxo-ethinylestradiol 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: 75.0%