Ospemifene E-isomer

Base Information

Chemical Name:Ospemifene E-isomer
CAS No.:238089-02-6
Molecular Formula:C₂₄H₂₃ClO₂
Molecular Weight:378.898
Hs Code.:
UNII:575Y7SBE69

Synonyms:Ospemifene E-isomer;E-Ospemifene;238089-02-6;575Y7SBE69;UNII-575Y7SBE69;2-[4-[(E)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol;Ethanol, 2-(4-((1E)-4-chloro-1,2-diphenyl-1-buten-1-yl)phenoxy)-;2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol;SCHEMBL948120;2-[4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy]ethan-1-ol;SCHEMBL2231997;EX-A396;LUMKNAVTFCDUIE-WCWDXBQESA-N;EN300-19768360;e-2-[4-(4-chloro-1,2-diphenyl-but-1-enyl)phenoxy]ethanol

Suppliers and Price of Ospemifene E-isomer

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

TRC
E-Ospemifene
50mg
$ 1705.00

Total 6 raw suppliers

Chemical Property of Ospemifene E-isomer

Chemical Property:

Boiling Point:544.6±50.0 °C(Predicted)
Density:1.166±0.06 g/cm3(Predicted)
XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:378.1386577
Heavy Atom Count:27
Complexity:441

Purity/Quality:

> 95% ^*data from raw suppliers

E-Ospemifene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)OCCO)CCCl
Isomeric SMILES:C1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/C3=CC=C(C=C3)OCCO)/CCCl

Technology Process of Ospemifene E-isomer

There total 3 articles about Ospemifene E-isomer 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:

: 936-59-4
3-chloropropiophenone

: 1602487-46-6
2-(4-benzoylphenoxy)ethyl benzoate

: 128607-22-7
ospemifene

: 238089-02-6
E-2-[4-(4-chloro-1,2-diphenyl-but-1-enyl)phenoxy]-ethanol

Guidance literature:: 3-chloropropiophenone; 2-(4-benzoylphenoxy)ethyl benzoate; With 2-monochlorophenol; potassium chloride; titanium tetrachloride; zinc; In 2-methyltetrahydrofuran; toluene; at 0 - 70 ℃; for 1.75h;

With water; sodium hydroxide; In tetrahydrofuran; methanol; at 20 ℃; for 2h; Reagent/catalyst; Solvent; Overall yield = 66 %; Overall yield = 249 mg;

Reference yield:

: 98-88-4
benzoyl chloride

: 128607-22-7
ospemifene

: 238089-02-6
E-2-[4-(4-chloro-1,2-diphenyl-but-1-enyl)phenoxy]-ethanol

Guidance literature:: Multi-step reaction with 2 steps

1.1: aluminum (III) chloride / dichloromethane / 2 h / 20 °C / Cooling with ice; Inert atmosphere

2.1: titanium tetrachloride; 2-monochlorophenol; zinc; potassium chloride / toluene; 2-methyltetrahydrofuran / 1.75 h / 0 - 70 °C

2.2: 2 h / 20 °C

With aluminum (III) chloride; 2-monochlorophenol; potassium chloride; titanium tetrachloride; zinc; In 2-methyltetrahydrofuran; dichloromethane; toluene;