- Diethylstilbestrol
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2022-05-18
- CAS:6898-97-1
- Min. Order: 10g
- Purity: 99.0%
- Supply Ability: 10tons
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| | 3,4-Bis(4′-hydroxyphenyl)-3-hexene Basic information |
| Product Name: | 3,4-Bis(4′-hydroxyphenyl)-3-hexene | | Synonyms: | DIETHYLSTILBESTROL 97% MIXTURE OF CIS&;diethylstilbestrol, mixture of cis and trans;Diethylstilbestrol,mixture of cis and trans;DIETHYLSTILBESTROL, 99%, MIXTURE OF CIS AND TRANS;3,4-Bis(4-hydroxyphenyl)-3-hexene;4,4'-(1,2-Diethylvinylene)bisphenol;4,4'-(3-Hexene-3,4-diyl)bisphenol;3,4-Bis(4-hydroxypheny | | CAS: | 6898-97-1 | | MF: | C18H20O2 | | MW: | 268.35 | | EINECS: | 678-392-3 | | Product Categories: | Acyclic;Alkenes;Bioactive Small Molecules;Building Blocks;Cell Biology;Chemical Synthesis;D-DIF;Organic Building Blocks;Stilbenes | | Mol File: | 6898-97-1.mol |  |
| | 3,4-Bis(4′-hydroxyphenyl)-3-hexene Chemical Properties |
| Melting point | 170-172 °C(lit.) | | Boiling point | 407.1±25.0 °C(Predicted) | | density | 1.107±0.06 g/cm3(Predicted) | | solubility | soluble in Methanol | | pka | 9.27±0.15(Predicted) | | form | powder to crystal | | color | White to Almost white | | Merck | 14,3129 | | InChI | InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3 | | InChIKey | RGLYKWWBQGJZGM-ISLYRVAYSA-N | | SMILES | C(C1=CC=C(O)C=C1)(CC)=C(C1=CC=C(O)C=C1)CC | | CAS DataBase Reference | 6898-97-1 |
| Hazard Codes | T,N | | Risk Statements | 45-61-36/37/38-51/53 | | Safety Statements | 53-36/37/39-45-60-61 | | RIDADR | UN 3077 9/PG 3 | | WGK Germany | 3 | | RTECS | WJ5600000 | | HazardClass | 9 | | PackingGroup | III | | HS Code | 29072990 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Aquatic Acute 1
Aquatic Chronic 1
Carc. 1B
Eye Irrit. 2
Repr. 1B
Skin Irrit. 2
STOT SE 3 |
| | 3,4-Bis(4′-hydroxyphenyl)-3-hexene Usage And Synthesis |
| Description | Diethylstilbestrol is a derivative of stilbene, and it differs from sin-estrol by the presence
of a double bond with trans-configuration of the two phenyl groups. In terms of estrogenic
activity, this drug surpasses both estrone and hexestrol. | | Chemical Properties | White solid | | Uses | Diethylstilbestrol was used as internal standard for the analysis of drug residues in urine of rats and calves by on-line HPLC with ultraviolet and continuous-flow fast atom bombardmentmass spectrometry detectors. | | Definition | ChEBI: Diethylstilbestrol is an olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups. It has a role as an antineoplastic agent, a carcinogenic agent, a xenoestrogen, an EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor, an antifungal agent, an endocrine disruptor, an EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor, an autophagy inducer and a calcium channel blocker. It is a polyphenol and an olefinic compound. | | General Description | Mechanisms of the isomerization processes of molecular and anionic diethylstilbestrol (DES) has been reported. Estrogen activity of cis- and trans-diethylstilbestrol has been evaluated. Diethylstilbestrol is a carcinogenic synthetic estrogen. | | Synthesis | Diethylstilbestrol, trans-|á,|-diethyl-4,4-stilbendiol (28.1.34), is proposed
to be synthesized in various ways. According to one of them, desoxyansoine is alkylated
by ethyl iodide in the presence of sodium ethoxide, and the resulting ketone (28.1.30)
is reacted in a Grignard reaction with ethylmagnesium bromide, which forms the carbinol
(28.1.31). Dehydration of this compound by distillation in the presence of p-toluenesulfonic
acid gives dimethyl ether of stilbestrol (28.1.32), methyl groups of which are
removed by heating it at high temperatures with potassium hydroxide, thus forming
diethylstilbestrol (28.1.33). 
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| | 3,4-Bis(4′-hydroxyphenyl)-3-hexene Preparation Products And Raw materials |
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