7β-Fulvestrant

Base Information

• Chemical Name: 7β-Fulvestrant
• CAS No.: 407577-53-1
• Molecular Formula: C₃₂H₄₇F₅O₃S
• Molecular Weight: 606.781
• Mol file: 407577-53-1.mol

Synonyms:7β-Fulvestrant;Fulvestrant IMpurity A

Chemical Property of 7β-Fulvestrant

Chemical Property:

• Boiling Point: 674.8±55.0 °C(Predicted)
• PKA: 10.27±0.70(Predicted)
• PSA: 76.74000
• Density: 1.201±0.06 g/cm3(Predicted)
• LogP: 9.54830
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

7β-Fulvestrant ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: Fulvestrant (F862500) impurity A. The S-isomer of Fulvestrant.

Technology Process of 7β-Fulvestrant

There total 59 articles about 7β-Fulvestrant 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: 95.0%

(+)-(7α)-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]estra-1,3,5(10)-triene-3,17β-diol (153004-31-0) → fulvestrant (129453-61-8,1316849-17-8,1807900-80-6,407577-53-1)

Guidance literature:

With dihydrogen peroxide; acetic acid; In water; ethyl acetate; at 40 ℃; for 4h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c5cc05805h

Reference yield: 82.0%

7β-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]estra-1,3,5-trien-3,17β-diol → fulvestrant (129453-61-8,1316849-17-8,1807900-80-6,407577-53-1)

Guidance literature:

With dihydrogen peroxide; acetic acid; In ethyl acetate;

Reference yield: 32.0%

(7R,13S)-3-methoxy-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol (1221256-46-7) → fulvestrant (129453-61-8,1316849-17-8,1807900-80-6,407577-53-1)

Guidance literature:

With aluminum (III) chloride; thiourea; In dichloromethane; at 20 - 55 ℃; Product distribution / selectivity;

upstream raw materials:

(+)-(7α)-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]estra-1,3,5(10)-triene-3,17β-diol

fulvestrant 17β-acetate

(7R,13S)-3-methoxy-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol

4,4,5,5,5-pentafluorpentan-1-ol

Downstream raw materials:

(+)-(7α)-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]estra-1,3,5(10)-triene-3,17β-diol