4-Hydroxytoremifene

Base Information

Chemical Name:4-Hydroxytoremifene
CAS No.:110503-62-3
Molecular Formula:C26H28 Cl N O2
Molecular Weight:421.967
Hs Code.:
UNII:WTW99894I6
DSSTox Substance ID:DTXSID301043030
Nikkaji Number:J385.175C,J667.237J
Wikidata:Q27292838
Pharos Ligand ID:QNRLC5LYFU2M
ChEMBL ID:CHEMBL1402
Mol file:110503-62-3.mol

Synonyms:4-hydroxytoremifene

Suppliers and Price of 4-Hydroxytoremifene

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
4-HydroxyToremifene
10mg
$ 195.00

TRC
4-HydroxyToremifene
100mg
$ 1555.00

American Custom Chemicals Corporation
4-HYDROXY TOREMIFENE 95.00%
5MG
$ 500.40

Total 8 raw suppliers

Chemical Property of 4-Hydroxytoremifene

Chemical Property:

Vapor Pressure:1.71E-13mmHg at 25°C
Melting Point:163-165°C
Boiling Point:567.7°Cat760mmHg
PKA:10.23±0.15(Predicted)
Flash Point:297.2°C
PSA：32.70000
Density:1.152g/cm³
LogP:5.62190
Storage Temp.:Amber Vial, -20°C Freezer
XLogP3:6.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:9
Exact Mass:421.1808568
Heavy Atom Count:30
Complexity:513

Purity/Quality:

95% ^*data from raw suppliers

4-HydroxyToremifene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=C(C=C3)O
Isomeric SMILES:CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=C(C=C3)O

Technology Process of 4-Hydroxytoremifene

There total 5 articles about 4-Hydroxytoremifene 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: 75.0%

: 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

: 110503-62-3,177748-22-0
(Z)-4-Hydroxytoremifene

Guidance literature:: With methyllithium; In tetrahydrofuran; diethyl ether; at -78 ℃; for 2h;
DOI:10.1021/jo952279l

Reference yield:

: 611-99-4
4,4'-Dihydroxybenzophenone

: 110503-62-3,177748-22-0
(Z)-4-Hydroxytoremifene

Guidance literature:: Multi-step reaction with 2 steps

1: 40 percent / cesium carbonate / dimethylformamide / 16 h / 80 °C

2: zinc, TiCl₄ / tetrahydrofuran / 5 h / Heating

With titanium tetrachloride; caesium carbonate; zinc; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/jo952279l

Reference yield:

: 936-59-4
3-chloropropiophenone

: 173163-13-8
4-<2-(N,N-dimethylamino)ethoxy>-4'-hydroxybenzophenone

: 110503-62-3,177748-22-0
(Z)-4-Hydroxytoremifene

: 177748-22-0
(E)-4-Hydroxytoremifene

Guidance literature:: With titanium tetrachloride; zinc; In tetrahydrofuran; for 5h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Heating;
DOI:10.1021/jo952279l