cis-beta-Hydroxy Tamoxifen

Base Information

• Chemical Name: cis-beta-Hydroxy Tamoxifen
• CAS No.: 97151-04-7
• Molecular Formula: C₂₆H₂₉NO₂
• Molecular Weight: 387.522
• DSSTox Substance ID: DTXSID701146254
• Mol file: 97151-04-7.mol

Synonyms:cis-beta-Hydroxy Tamoxifen;97151-04-7;(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-1-ol;cis-?-Hydroxy Tamoxifen;cis-|A-Hydroxy Tamoxifen;cis- beta -Hydroxy Tamoxifen;SCHEMBL1152582;DTXSID701146254;(gammaE)-gamma-[[4-[2-(Dimethylamino)ethoxy]phenyl]phenylmethylene]benzenepropanol

Chemical Property of cis-beta-Hydroxy Tamoxifen

Chemical Property:

• Melting Point: 112-114°C
• PSA: 32.70000
• LogP: 4.96850
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform, Methanol
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 387.219829168
• Heavy Atom Count: 29
• Complexity: 481

Purity/Quality:

97% ^*data from raw suppliers

cis-β-HydroxyTamoxifen ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)CCOC1=CC=C(C=C1)C(=C(CCO)C2=CC=CC=C2)C3=CC=CC=C3
• Isomeric SMILES: CN(C)CCOC1=CC=C(C=C1)/C(=C(\CCO)/C2=CC=CC=C2)/C3=CC=CC=C3
• Uses: A hydroxylated analogue of Tamoxifen (T006000) with anti-estrogenic properties.

Technology Process of cis-beta-Hydroxy Tamoxifen

There total 2 articles about cis-beta-Hydroxy Tamoxifen 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:

oxirane (75-21-8,99932-75-9) + (E/Z)-1-Bromo-2-[4-[2-(dimethylamino)ethoxy]phenyl]-1,2-diphenylethene (19076-79-0) → E,Z-1-<4-<2-(dimethylamino)ethoxy>phenyl>-1,2-diphenylethene (19957-51-8) + (Z)-1,2-diphenyl-1-[4-[2-(N,N-dimethylamino)ethoxy]phenyl]-1-buten-4-ol (97151-03-6) + cis-(E)-1-<4-<2-(dimethylamino)ethoxy>phenyl>-1,2-diphenyll-1-buten-4-ol (97151-04-7)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction. Yields of byproduct given; 1.) THF, hexane, -78 deg C, 5 min, 2.) THF, hexane, -78 deg C to RT, 30 min;

DOI:10.1021/jm00148a020

Reference yield:

→ cis-(E)-1-<4-<2-(dimethylamino)ethoxy>phenyl>-1,2-diphenyll-1-buten-4-ol (97151-04-7)

Guidance literature:

upstream raw materials:

oxirane

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

Refernces

• 1、 Foster,Jarman,Leung,McCague,Leclercq,Devleeschouwer. "Hydroxy derivatives of tamoxifen". . p. 1491 - 1497. Retrieved 2007/10/02.