3,11-Dihydroxyestra-1,3,5(10)-trien-17-one

Base Information

Chemical Name:3,11-Dihydroxyestra-1,3,5(10)-trien-17-one
CAS No.:6803-21-0
Molecular Formula:C18H22 O3
Molecular Weight:286.371
Hs Code.:
NSC Number:97864
DSSTox Substance ID:DTXSID60987464
ChEMBL ID:CHEMBL1449296
Mol file:6803-21-0.mol

Synonyms:11-hydroxy-9-estrone;11-hydroxyestrone;11-hydroxyestrone, (11alpha)-isomer

Suppliers and Price of 3,11-Dihydroxyestra-1,3,5(10)-trien-17-one

Supply Marketing:

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

Total 7 raw suppliers

Chemical Property of 3,11-Dihydroxyestra-1,3,5(10)-trien-17-one

Chemical Property:

Vapor Pressure:1.53E-10mmHg at 25°C
Melting Point:255-258 °C
Boiling Point:493.2 °C at 760 mmHg
PKA:10.18±0.60(Predicted)
Flash Point:266.2 °C
PSA：57.53000
Density:1.249 g/cm³
LogP:2.78820
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:286.15689456
Heavy Atom Count:21
Complexity:448

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CC(C3C(C1CCC2=O)CCC4=C3C=CC(=C4)O)O

Technology Process of 3,11-Dihydroxyestra-1,3,5(10)-trien-17-one

There total 1 articles about 3,11-Dihydroxyestra-1,3,5(10)-trien-17-one 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:

: 898-84-0
(8S,9S,10R,11S,13S,14S)-11-Hydroxy-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclopenta[a]phenanthrene-3,17-dione

: 6803-21-0
11beta-Hydroxyestrone

Guidance literature:: With mineral oil; at 600 ℃;
DOI:10.1021/ja01542a045

Reference yield: 38.0%

: 6803-21-0
11beta-Hydroxyestrone

: 7533-97-3
11-Ketoestrone

Guidance literature:: With chromium(VI) oxide; sulfuric acid; In acetone; at 0 ℃;
DOI:10.1016/0039-128X(80)90046-X

Reference yield:

: 6803-21-0
11beta-Hydroxyestrone

: 849241-52-7
3-benxyloxy-11β-butoxyestra-1,3,5(10)-trien-17-one

Guidance literature:: Multi-step reaction with 4 steps

1.1: 990 mg / K₂CO₃ / CHCl₃; methanol / 6 h / Heating

2.1: 89 percent / pTsOH / benzene / 5 h / Heating

3.1: KH / toluene / 0.5 h / 80 °C

3.2: 45 percent Spectr_. / toluene / 20 h / 80 °C

4.1: aq. pTsOH / acetone / 1 h / 70 °C

With potassium hydride; potassium carbonate; toluene-4-sulfonic acid; In methanol; chloroform; acetone; toluene; benzene;
DOI:10.1021/jm049352x