alpha-Hydroxy-N-desmethyltamoxifen

Base Information

Chemical Name:alpha-Hydroxy-N-desmethyltamoxifen
CAS No.:162070-61-3
Molecular Formula:C25H27 N O2
Molecular Weight:373.49
Hs Code.:
DSSTox Substance ID:DTXSID401344152
Nikkaji Number:J573.431B,J700.166E
Wikidata:Q26998327
Mol file:162070-61-3.mol

Synonyms:162070-61-3;alpha-Hydroxy-N-desmethyltamoxifen;N-DESMETHYL (E)-ALPHA-HYDROXY TAMOXIFEN;(E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol;Benzeneethanol, alpha-methyl-beta-((4-(2-(methylamino)ethoxy)phenyl)phenylmethylene)-, (betaE)-;N-Desmethyl (E)-|A-Hydroxy Tamoxifen;(E)- alpha-Hyroxytamoxifen;CHEBI:80557;DTXSID401344152;LS-30306;Q26998327

Suppliers and Price of alpha-Hydroxy-N-desmethyltamoxifen

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
N-Desmethyl(E)-α-HydroxyTamoxifen
2.5mg
$ 180.00

TRC
N-Desmethyl(E)-α-HydroxyTamoxifen
25mg
$ 1390.00

Medical Isotopes, Inc.
(E)-N-Desmethyl-α-hydroxytamoxifen
1 mg
$ 390.00

Total 1 raw suppliers

Chemical Property of alpha-Hydroxy-N-desmethyltamoxifen

Chemical Property:

Melting Point:>50oC (dec.)
PSA：41.49000
LogP:5.01560
Storage Temp.:Amber Vial, -20°C Freezer, Under inert atmosphere
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:5.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:373.204179104
Heavy Atom Count:28
Complexity:469

Purity/Quality:: N-Desmethyl(E)-α-HydroxyTamoxifen ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCNC)C3=CC=CC=C3)O
Isomeric SMILES:CC(/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3)O
Uses N-Desmethyl (E)-α-Hydroxy Tamoxifen is a N-demethylated, α-Hydroxyated metabolite of Tamoxifen (T006000).

Technology Process of alpha-Hydroxy-N-desmethyltamoxifen

There total 4 articles about alpha-Hydroxy-N-desmethyltamoxifen 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: 12.0%

: 75-07-0,9002-91-9
acetaldehyde

: 265321-58-2
(E/Z)-1-Bromo-2-[4-(2-methylaminoethoxy)phenyl]-1,2-diphenylethene

: 162070-61-3
alpha-Hydroxy-N-desmethyltamoxifen

: (Z)-4-[4-(2-Methylaminoethoxy)phenyl]-3,4-diphenylbut-3-en-2-ol

Guidance literature:: (E/Z)-1-Bromo-2-[4-(2-methylaminoethoxy)phenyl]-1,2-diphenylethene; With n-butyllithium; In tetrahydrofuran; at -110 ℃;

acetaldehyde; In tetrahydrofuran;
DOI:10.1021/tx990187b

Reference yield:

: 288617-57-2
(E)-4-{4-[2-(N-Ethoxycarbonyl-N-methylamino)ethoxy]phenyl}-3,4-diphenyl-3-buten-2-ol

: 162070-61-3
alpha-Hydroxy-N-desmethyltamoxifen

Guidance literature:: With potassium hydroxide; hydrazine hydrate; In ethylene glycol; at 140 ℃; for 2h;
DOI:10.1021/tx000074o

Reference yield:

: 19076-79-0
(E/Z)-1-Bromo-2-[4-[2-(dimethylamino)ethoxy]phenyl]-1,2-diphenylethene

: 162070-61-3
alpha-Hydroxy-N-desmethyltamoxifen

Guidance literature:: Multi-step reaction with 2 steps

1.1: ClCO₂CH(Cl)CH₃ / 1,2-dichloro-ethane / Heating

1.2: 98 percent / methanol / 0.75 h / Heating

2.1: n-BuLi / tetrahydrofuran / -110 °C

2.2: 12 percent / tetrahydrofuran

With n-butyllithium; carbonochloridic acid 1-chloro-ethyl ester; In tetrahydrofuran; 1,2-dichloro-ethane;
DOI:10.1021/tx990187b