Fluoroestradiol

Base Information

Chemical Name:Fluoroestradiol
CAS No.:92817-10-2
Molecular Formula:C₁₈H₂₃FO₂
Molecular Weight:290.378
Hs Code.:
UNII:LVI5P34A3C
DSSTox Substance ID:DTXSID401027871
Nikkaji Number:J358.532H
ChEMBL ID:CHEMBL1627367
Mol file:92817-10-2.mol

Synonyms:fluoroestradiol;16ALPHA-FLUORO-17BETA-ESTRADIOL;16alpha-Fluoroestradiol;92817-10-2;LVI5P34A3C;16.alpha.-fluoroestradiol;Fluoroestradiol, 16alpha-;UNII-LVI5P34A3C;Fluoroestradiol, 16.alpha.-;(8R,9S,13S,14S,16R,17R)-16-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;16alpha-Fluoro-13beta-methyl-1,3,5(10)-gonatriene-3,17beta-diol;Estra-1,3,5(10)-triene-3,17-diol, 16-fluoro-, (16alpha,17beta)-;SCHEMBL6543568;CHEMBL1627367;DTXSID401027871;16.ALPHA.-FLUORO-17.BETA.-ESTRADIOL;16.ALPHA.-FLUORO-13.BETA.-METHYL-1,3,5(10)-GONATRIENE-3,17.BETA.-DIOL;ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 16-FLUORO-, (16.ALPHA.,17.BETA.)-

Suppliers and Price of Fluoroestradiol

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

American Custom Chemicals Corporation
16ALPHA-FLUORO-17BETA-ESTRADIOL 95.00%
5MG
$ 504.94

Total 9 raw suppliers

Chemical Property of Fluoroestradiol

Chemical Property:

Boiling Point:453.6 °C at 760 mmHg
PKA:10.22±0.70(Predicted)
Flash Point:228.1 °C
PSA：40.46000
Density:1.24 g/cm³
LogP:3.55720
Water Solubility.:at 25 deg C (mg/L): 95.76
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:290.16820813
Heavy Atom Count:21
Complexity:414

Purity/Quality:

99.3% ^*data from raw suppliers

16ALPHA-FLUORO-17BETA-ESTRADIOL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C(C1CC(C2O)F)CCC4=C3C=CC(=C4)O
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)F)CCC4=C3C=CC(=C4)O
Recent ClinicalTrials:Study to Determine the Utility of FES-PET in the Prediction of Response to Fulvestrant in Women With Estrogen Positive Metastatic Breast Cancer
Recent EU Clinical Trials:Estrogen receptor and androgen receptor imaging in metastatic breast cancer patients
Uses 6a-[18F]Fluoroestradiol ([18F]FES) is a radiopharma- ceutical used in positron emission tomography for imaging of specific estrogen receptors.

Technology Process of Fluoroestradiol

There total 15 articles about Fluoroestradiol 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: 14.0%

: 92817-09-9
16α-Fluoro-3-<<(trifluoromethyl)sulfonyl>oxy>estra-1,3,5(10)-trien-17-one

: 92817-10-2
16alpha-Fluoroestradiol

: 92817-11-3
16α-Fluoroestra-1,3,5(10)-triene-3,17α-diol

Guidance literature:: With lithium aluminium tetrahydride; In diethyl ether; 1.) CO₂/isopropyl alcohol bath, 10 min 2.) room temperature, 10 min;
DOI:10.1021/jo00199a031

Reference yield:

: 16α/β-fluoro-3-hydroxy-1,3,5(10)-estratrien-17-one

: 92817-10-2
16alpha-Fluoroestradiol

: 92817-11-3
16α-Fluoroestra-1,3,5(10)-triene-3,17α-diol

: 84693-92-5
16beta-Fluoroestradiol

Guidance literature:: With sodium tetrahydroborate; In tetrahydrofuran; at 45 ℃; for 2h;
DOI:10.1016/S0039-128X(97)00116-5

Reference yield:

: 53-16-7
Estrone

: 92817-10-2
16alpha-Fluoroestradiol

Guidance literature:: Multi-step reaction with 2 steps

1: 42 percent / conc. H₂SO₄ / 2 h / Heating

2: 1.) XeF₂, 2.) LiAlH₄ / 1.) CH₂Cl₂, 17 h

With lithium aluminium tetrahydride; xenon difluoride; sulfuric acid;
DOI:10.1021/jo00256a049