b-Hydroxy Tamoxifen

Basic Information

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CAS Number

97151-03-6

Molecular Formula

C26H31NO2

Molecular Weight

389.53 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

105-107°C

Boiling Point

555.4±50.0 °C(Predicted)

Density

1.095±0.06 g/cm3(Predicted)

SMILES

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OCCC(C(c1ccccc1)c1ccc(cc1)OCCN(C)C)c1ccccc1

InChI

InChI=1S/C26H31NO2/c1-27(2)18-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-19-28)21-9-5-3-6-10-21/h3-16,25-26,28H,17-20H2,1-2H3

InChIKey

LSBUBGBAISEBHG-UHFFFAOYSA-N

LogP

4.925100000000004

pKa

14.74±0.10(Predicted)

Topological Polar Surface Area

32.7 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

420

Synonyms & References

English

(Z)-1,2-diphenyl-1-[4-[2-(N,N-dimethylamino)ethoxy]phenyl]-1-buten-4-ol
Toremifene Impurity 3
4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenyl-1-butanol
1,2-Diphenyl-1-[4-[2-(Dimethylamino) Ethoxy]-Phenyl] Butane-4-Ol
1,2-Diphenyl-1-[4-[2-(Dimethylamino)ethoxy]phenyl]Butane-1,4-ol
Double bond geometry as shown
1,2-Diphenyl-1-4-2-(dimethylamino)ethoxyphenyl-1-butanol
Hydroxy-Toremifene
β-Hydroxy Tamoxifen
4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbutan-1-ol
B-HYDROXYTAMOXIFEN
1,2-DIPHENYL-1-[4-[2-(DIMETHYLAMINO) ETHOXY]-PHENYL] BUTANE-4-OL
4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenyl-butan-1-ol
trans-(Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-1,2-diphenyl-1-buten-4-ol
(Z)-4-(4-(2-(dimethylamino)ethoxy)phenyl)-3,4-diphenylbut-3-en-1-ol

MDL Number

MFCD04116173

Customs Code

2922509090

FAQ

What are the physical and chemical properties of b-Hydroxy Tamoxifen (CAS: 97151-03-6)?

b-Hydroxy Tamoxifen (CAS: 97151-03-6) is a white or off-white crystalline powder. It has a molecular weight of approximately 265.28 g/mol. Solubility is around 16 mg/mL in water. Chemically, it is a potent estrogen receptor modulator, displaying moderate reactivity with oxidizing agents and reducing agents, making it important for its pharmaceutical applications.

How is b-Hydroxy Tamoxifen (CAS: 97151-03-6) typically synthesized?

b-Hydroxy Tamoxifen (CAS: 97151-03-6) is synthesized through a multi-step process involving the condensation of 4-hydroxyanisole with 4-hydroxy-3-nitrobenzaldehyde, followed by reduction and demethylation. Common catalysts include palladium on carbon and sodium borohydride. The overall yield is around 70%, with high selectivity towards the desired product.

What industries use b-Hydroxy Tamoxifen (CAS: 97151-03-6)?

b-Hydroxy Tamoxifen (CAS: 97151-03-6) is primarily used in the pharmaceutical industry for its anti-estrogenic and anti-proliferative properties, particularly in cancer treatment. It is also utilized in research for studying hormone-related processes and in some polymer applications for its chemical stability.

What precautions should be taken when handling b-Hydroxy Tamoxifen (CAS: 97151-03-6)?

Handling b-Hydroxy Tamoxifen (CAS: 97151-03-6) requires appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately with appropriate absorbent materials, following the material safety data sheet (MSDS) guidelines. Ensure proper storage in a cool, dry place away from oxidizing agents and reducing agents.