4-Pivaloyloxy Toremifene

Base Information

Chemical Name:4-Pivaloyloxy Toremifene
CAS No.:177748-20-8
Molecular Formula:C31H36ClNO3
Molecular Weight:506.07500
Hs Code.:
DSSTox Substance ID:DTXSID401110092
Mol file:177748-20-8.mol

Synonyms:4-Pivaloyloxy Toremifene;177748-20-8;[4-[(E)-4-chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] 2,2-dimethylpropanoate;SCHEMBL12281115;DTXSID401110092;J-011316;4-[(1E)-4-Chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl 2,2-dimethylpropanoate

Suppliers and Price of 4-Pivaloyloxy Toremifene

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

Usbiological
4-Pivaloyloxy Toremifene
10mg
$ 425.00

TRC
4-PivaloyloxyToremifene
10mg
$ 130.00

Medical Isotopes, Inc.
4??-Pivaloyloxy Toremifene
50 mg
$ 2200.00

Medical Isotopes, Inc.
4-PivaloyloxyToremifene
100 mg
$ 2000.00

Medical Isotopes, Inc.
4??-PivaloyloxyToremifene
5 mg
$ 650.00

Medical Isotopes, Inc.
4-PivaloyloxyToremifene
10 mg
$ 625.00

Total 1 raw suppliers

Chemical Property of 4-Pivaloyloxy Toremifene

Chemical Property:

Melting Point:124-127°C
PSA：38.77000
LogP:7.16650
Storage Temp.:Amber Vial, -20°C Freezer, Under inert atmosphere
Solubility.:Chloroform, Methanol
XLogP3:8.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:12
Exact Mass:505.2383717
Heavy Atom Count:36
Complexity:691

Purity/Quality:: 4-Pivaloyloxy Toremifene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C(=O)OC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=C(C=C3)OCCN(C)C
Isomeric SMILES:CC(C)(C)C(=O)OC1=CC=C(C=C1)/C(=C(\CCCl)/C2=CC=CC=C2)/C3=CC=C(C=C3)OCCN(C)C
Uses Protected 4-Hydroxy Toremifene (H954500), a metabolite of Toremifene wards the orphan estrogen-related receptor γ and the classical estrogen receptor α. Protected 4’Hydroxy Toremifene (H954510), a metabolite of Toremifene Protected 4-Hydroxy Toremifene (H954500), a metabolite of Toremifene (T547500). 4-Pivaloyloxy Toremifene is used in the preparation of Tamoxifen (T006000) analogs with improved binding selectivity towards the orphan estrogen-related receptor γ and the classical estrogen receptor α.

Technology Process of 4-Pivaloyloxy Toremifene

There total 16 articles about 4-Pivaloyloxy Toremifene 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:

: 177748-22-0
4-hydroxytoremifene

: 3282-30-2
pivaloyl chloride

: 177748-20-8
2,2-Dimethyl-propionic acid 4-{(E)-4-chloro-1-[4-(2-dimethylamino-ethoxy)-phenyl]-2-phenyl-but-1-enyl}-phenyl ester

Guidance literature:: With dmap; In dichloromethane; at 0 - 20 ℃; for 6h; Inert atmosphere;

Reference yield:

: C₂₉H₂₉ClO₄

: 124-40-3
dimethyl amine

: 177748-20-8
2,2-Dimethyl-propionic acid 4-{(E)-4-chloro-1-[4-(2-dimethylamino-ethoxy)-phenyl]-2-phenyl-but-1-enyl}-phenyl ester

Guidance literature:: C₂₉H₂₉ClO₄; dimethyl amine; With magnesium sulfate; In tetrahydrofuran; at 20 ℃; for 16h;

With sodium tetrahydroborate; ethanol; at 0 - 20 ℃; for 1h;

Reference yield:

: 3282-30-2
pivaloyl chloride

: 177748-20-8
2,2-Dimethyl-propionic acid 4-{(E)-4-chloro-1-[4-(2-dimethylamino-ethoxy)-phenyl]-2-phenyl-but-1-enyl}-phenyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: NaH / dimethylformamide / 0 - 20 °C

2: TiCl₄; Zn / tetrahydrofuran / Heating

3: PS-PPh₂; DEAD / tetrahydrofuran

With PS-PPh₂; titanium tetrachloride; sodium hydride; zinc; diethylazodicarboxylate; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2005.11.030