6alpha-Hydroxy-ethinylestradiol

Base Information Edit

Chemical Name:6alpha-Hydroxy-ethinylestradiol
CAS No.:27521-34-2
Molecular Formula:C₂₀H₂₄O₃
Molecular Weight:312.409
Hs Code.:
European Community (EC) Number:641-774-5
UNII:GG3MQJ7K0L
ChEMBL ID:CHEMBL1627959
DSSTox Substance ID:DTXSID40181943
Nikkaji Number:J1.691.119D
Wikidata:Q27279090
Mol file:27521-34-2.mol

Synonyms:27521-34-2;6alpha-Hydroxy-ethinylestradiol;6alpha-Hydroxy Ethynyl Estradiol;6-alpha-Hydroxy Ethinylestradiol;GG3MQJ7K0L;(6S,8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol;UNII-GG3MQJ7K0L;6alpha-Hydroxy-ethinyl estradiol;Ethinylestradiol impurity E [EP];Ethinylestradiol Imp. E (EP);19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yne-3,6alpha,17-triol;6alpha-Hydroxyethinylestradiol;Ethinylestradiol Impurity E;6alpha-Hydroxy-17alpha-ethynylestradiol;Ethynyl Estradiol Impurity E;6-|A-Hydroxy Ethinylestradiol;SCHEMBL3940697;CHEMBL1627959;DTXSID40181943;6 alpha -Hydroxy Ethynyl Estradiol;19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol, (6alpha,17alpha)-;AKOS032958179;6.ALPHA.-HYDROXY-ETHINYLESTRADIOL;6.ALPHA.-HYDROXY-ETHINYL ESTRADIOL;F96980;ETHINYLESTRADIOL IMPURITY E [EP IMPURITY];6.ALPHA.-HYDROXY-17.ALPHA.-ETHYNYLESTRADIOL;J-016798;Q27279090;19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YNE-3,6.ALPHA.,17-TRIOL;19-Nor-17?-pregna-1,3,5(10)-trien-20-yne-3,6?,17-triol (6?-Hydroxyethinylestradiol);19-NORPREGNA-1,3,5(10)-TRIEN-20-YNE-3,6,17-TRIOL, (6.ALPHA.,17.ALPHA.)-;(1r,3as,3br,5s,9bs,11as)-1-ethynyl-11a-methyl-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h,11ah-cyclopenta[a]phenanthrene-1,5,7-triol;(6S, 8R, 9S, 13S, 14S, 17R)-17-ethynyl-13-methyl-7, 8, 9, 11, 12, 14, 15, 16-octahydro-6H-cyclopenta[a]phenanthrene-3, 6, 17-triol;19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yne-3,6alpha,17-triol (6alpha-Hydroxyethinylestradiol)

Suppliers and Price of 6alpha-Hydroxy-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
6α-HydroxyEthynylEstradiol
250mg
$ 1390.00

AK Scientific
6alpha-Hydroxy-ethinylestradiol
1g
$ 11975.00

Total 8 raw suppliers

Chemical Property of 6alpha-Hydroxy-ethinylestradiol Edit

Chemical Property:

Melting Point:201-202 °C
Boiling Point:500.4±50.0 °C(Predicted)
PKA:10.09±0.70(Predicted)
PSA：60.69000
Density:1.28±0.1 g/cm3(Predicted)
LogP:3.10350
XLogP3:2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:312.17254462
Heavy Atom Count:23
Complexity:536

Purity/Quality:

98%Min ^*data from raw suppliers

6α-HydroxyEthynylEstradiol ^*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(C4=C3C=CC(=C4)O)O
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)C[C@@H](C4=C3C=CC(=C4)O)O
Uses Ethynyl Estradiol (E685100) impurity E.

Technology Process of 6alpha-Hydroxy-ethinylestradiol

There total 9 articles about 6alpha-Hydroxy-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: 64.0%