Diethylstilbestrol supplier

Name
Diethylstilbestrol
EINECS 200-278-5
CAS No. 56-53-1
Article Data46
CAS DataBase
Density 1.107 g/cm³
Solubility practically insoluble in water
Melting Point 170-172 °C(lit.)
Formula C₁₈H₂₀O₂
Boiling Point 407.1 °C at 760 mmHg
Molecular Weight 268.356
Flash Point 186.9 °C
Transport Information UN 3077 9/PG 3
Appearance White solid
Safety 53-36/37/39-45-60-61
Risk Codes 45-61-36/37/38-51/53-40
Molecular Structure
Hazard Symbols T, N
Synonyms 4,4'-Stilbenediol,a,a'-diethyl-, (E)- (8CI);4,4'-Stilbenediol, a,a'-diethyl-, trans- (4CI);Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-,(E)-;(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene;(E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol;(E)-Diethylstilbestrol;4,4'-Dihydroxy-a,b-diethylstilbene;4,4'-Dihydroxydiethylstilbene;Agostilben;Antigestil;Bertrol;Bio-des;Bufon;Comestrol;Cyren;Cyren A;DEB;DES;DES (synthetic estrogen);Dawe's destrol;Di-Estryl;Diethylstilbestrol;Distilbene;Domestrol;Estrobene;Estromenin;Estrosyn;Fonatol;Hi-Bestrol;Microest;Milestrol;NSC 3070;Oestromensyl;Palestrol;Serral;Sexocretin;Sibol;Stilbetin;Stilboefral;Stilboestrol;Synthoestrin;Synthofolin;Syntofolin;trans-4,4'-Dihydroxy-a,b-diethylstilbene;trans-Diethylstilbestrol;trans-a,a'-Diethyl-4,4'-stilbenediol;a,a'-Diethyl-4,4'-stilbenediol;a,a'-Diethylstilbenediol;
PSA 40.46000
LogP 4.82860

Synthetic route

: 130-79-0
Diethylstilbestrol dimethyl ether

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
Stage #1: Diethylstilbestrol dimethyl ether With boron tribromide In dichloromethane at -78 - 20℃; for 2h; Inert atmosphere; Stage #2: With water In dichloromethane at 0℃; for 0.5h;	63%
With boron tribromide-dimethyl sulfide complex In 1,2-dichloro-ethane at 83.5℃; for 576h;	50.2%
With potassium hydroxide; Dipropylene glycol at 215 - 235℃;

: 70-70-2
4-hydroxypropiophenone

A: 56-53-1
diethylstilbestrol

B: 7507-01-9
3,4-bis(4-hydroxyphenyl)-3,4-hexanediol

C: 22610-99-7
cis-3,4-Bis(p-hydroxyphenyl)-3-hexene

Conditions

Conditions	Yield
With titanium tetrachloride; zinc In tetrahydrofuran for 20h; Heating; Yield given;	A n/a B 27% C n/a
With titanium tetrachloride; zinc In tetrahydrofuran for 20h; Heating; Yields of byproduct given;	A n/a B 27% C n/a
With titanium tetrachloride; zinc In tetrahydrofuran for 20h; Heating; Yield given. Title compound not separated from byproducts;	A n/a B 27% C n/a

...Expand

: 10467-10-4
ethylmagnesium iodide

: 70244-10-9
4.4'-diethoxy-α.α'-diethyl-trans-stilbene

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
at 190 - 200℃;

: 10467-10-4
ethylmagnesium iodide

: 130-79-0
Diethylstilbestrol dimethyl ether

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
at 180 - 190℃;
at 180 - 190℃;

: 10467-10-4
ethylmagnesium iodide

: 4.4'-dipropyloxy-α.α'-diethyl-trans-stilbene

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
at 190 - 200℃;

: 10467-10-4
ethylmagnesium iodide

: 4.4'-dibutyloxy-α.α'-diethyl-trans-stilbene

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
at 190 - 200℃;

: 917-64-6
methyl magnesium iodide

: 130-79-0
Diethylstilbestrol dimethyl ether

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
at 170 - 175℃;
at 170 - 175℃;
at 170 - 175℃;
at 170 - 175℃;

: 64-17-5
ethanol

: 22610-99-7
cis-3,4-Bis(p-hydroxyphenyl)-3-hexene

: 56-53-1
diethylstilbestrol

: 130-79-0
Diethylstilbestrol dimethyl ether

: phenylmagnesium bromide

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
at 220℃;
at 220℃;

: 130-79-0
Diethylstilbestrol dimethyl ether

A: 56-53-1
diethylstilbestrol

B: 18839-90-2
(E)-4-[1-ethyl-2-(4-methoxyphenyl)-1-butenyl]-phenol

Conditions

Conditions	Yield
With potassium hydroxide; ethoxyethoxyethanol

: 22610-99-7
cis-3,4-Bis(p-hydroxyphenyl)-3-hexene

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
at 120 - 135℃;

: 536-44-7
4-(1-bromo-propyl)-anisole

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
With ammonia; sodium amide; toluene at 224℃; weitere Reagentien: KOH, Aethylenglykol;

: 67102-36-7
4-Amino-4'-hydroxy-α,α'-diaethylstilben

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
With sulfuric acid Diazotization;

: 4.4'-diamino-α.α'-diethyl-trans-stilbene

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
With sulfuric acid; water Diazotization;

: 81493-97-2
E-pseudo-DES

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
With hydrogenchloride
With hydrogenchloride

: 130-80-3, 10048-66-5, 37221-14-0
3,4-bis-(4-propionyloxy-phenyl)-hex-3c-ene

A: 56-53-1
diethylstilbestrol

B: 22610-99-7
cis-3,4-Bis(p-hydroxyphenyl)-3-hexene

Conditions

Conditions	Yield
With ammonia

: 22610-99-7
cis-3,4-Bis(p-hydroxyphenyl)-3-hexene

: 71-43-2
benzene

: 56-53-1
diethylstilbestrol

: 2297-48-5
C18H22O3

A: 56-53-1
diethylstilbestrol

B: 22610-99-7
cis-3,4-Bis(p-hydroxyphenyl)-3-hexene

Conditions

Conditions	Yield
With hydrogenchloride Yield given;

: 13029-44-2
dienestrol

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In acetone under 2585.7 Torr; Ambient temperature;

(+-)-3.3-bis-<4-hydroxy-phenyl>-hexanol-(4): (+-)-3.3-bis-<4-hydroxy-phenyl>-hexanol-(4)

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
With hydrogenchloride; diethyl ether

(+-)-3.4-bis-<4-hydroxy-phenyl>-hexene-(2): (+-)-3.4-bis-<4-hydroxy-phenyl>-hexene-(2)

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
With iodine at 180℃;
With potassium hydroxide at 225℃;
With diethyl ether; palladium at 20℃;

3.4-bis-<4-hydroxy-phenyl>-hexanol-(3): 3.4-bis-<4-hydroxy-phenyl>-hexanol-(3)

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
With hydrogenchloride

: 925-90-6
ethylmagnesium bromide

(+-)-1.2-bis-<4-benzyloxy-phenyl>-butanone-(1): (+-)-1.2-bis-<4-benzyloxy-phenyl>-butanone-(1)

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
With diethyl ether Erhitzen des nach der Hydrolyse erhaltenen Reaktionsprodukts unter 0.3 Torr auf 150grad;

4-<4-bromo-phenyl>-3-<4-methoxy-phenyl>-hexanol-(3): 4-<4-bromo-phenyl>-3-<4-methoxy-phenyl>-hexanol-(3)

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
With hydrogenchloride; diethyl ether anschliessendes Kochen mit Pyridin und Erhitzen des Reaktionsprodukts mit aethanol. KOH auf 200grad;

: 130-79-0
Diethylstilbestrol dimethyl ether

ethanolic KOH: ethanolic KOH

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
at 200 - 210℃;
at 200 - 210℃;

: 110-98-5
1,1'-oxydipropan-2-ol

: 130-79-0
Diethylstilbestrol dimethyl ether

KOH: KOH

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
at 215 - 235℃;

...Expand

: 130-79-0
Diethylstilbestrol dimethyl ether

: 107-21-1
ethylene glycol

KOH: KOH

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
at 180 - 215℃;

...Expand

: 130-79-0
Diethylstilbestrol dimethyl ether

: 111-46-6
diethylene glycol

KOH: KOH

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
at 215 - 235℃;

...Expand

: 130-79-0
Diethylstilbestrol dimethyl ether

methanol. KOH: methanol. KOH

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
at 200℃;

: 107-97-1
sarcosine

: 56-53-1
diethylstilbestrol

: C18H20O2*C3H7NO2

Conditions

Conditions	Yield
In methanol at 20℃;	99.01%

: 525-82-6
FLAVONE

: 56-53-1
diethylstilbestrol

: C18H20O2*2C15H10O2

Conditions

Conditions	Yield
In methanol at 20℃; Solvent;	98.72%

: 56-53-1
diethylstilbestrol

: 98-92-0
nicotinamide

: C18H20O2*C6H6N2O

Conditions

Conditions	Yield
In methanol at 50℃;	98.62%

: 56-53-1
diethylstilbestrol

: 1453-82-3
isonicotinamide

: C18H20O2*2C6H6N2O

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; Solvent;	98.57%

: 56-53-1
diethylstilbestrol

: 57-13-6
urea

: C18H20O2*CH4N2O

Conditions

Conditions	Yield
In ethanol at 20℃;	98.43%

: 56-53-1
diethylstilbestrol

: 98-92-0
nicotinamide

: C18H20O2*2C6H6N2O

Conditions

Conditions	Yield
In ethyl acetate at 20℃;	97.99%

: 1452-77-3
pyridine-2-carboxylic acid amide

: 56-53-1
diethylstilbestrol

: C18H20O2*C6H6N2O

Conditions

Conditions	Yield
In methanol at 20℃;	97.91%

: 56-53-1
diethylstilbestrol

: 3188-13-4
ethyl chloromethyl ether

: C24H32O4

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran Reflux;	95%

: 31643-49-9
4-Nitrophthalonitrile

: 56-53-1
diethylstilbestrol

: C34H24N4O2

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 24h; Inert atmosphere;	94%

: 56-53-1
diethylstilbestrol

: 67-68-5
dimethyl sulfoxide

: 35079-22-2
trans-diethylstilbestrol dimethylsulfoxide solvate

Conditions

Conditions	Yield
for 504h;	93%

: 358-23-6
trifluoromethylsulfonic anhydride

: 56-53-1
diethylstilbestrol

: C20H18F6O6S2

Conditions

Conditions	Yield
With triethylamine In dichloromethane at -78 - 20℃; for 1h;	90%

: 56-53-1
diethylstilbestrol

: 4-cyano-N,N,N-trimethylanilinium trifluoromethansulfonate

: C32H26N2O2

Conditions

Conditions	Yield
Stage #1: diethylstilbestrol With potassium tert-butylate In tetrahydrofuran; N,N-dimethyl-formamide at 25℃; for 0.166667h; Inert atmosphere; Schlenk technique; Stage #2: 4-cyano-N,N,N-trimethylanilinium trifluoromethansulfonate In tetrahydrofuran; N,N-dimethyl-formamide at 25℃; for 3h; Inert atmosphere; Schlenk technique;	90%

: 4753-59-7
4-Bromobutyl acetate

: 56-53-1
diethylstilbestrol

: (E)-((hex-3-ene-3,4-diylbis(4,1-phenylene))bis(oxy))bis(butane-4,1-diyl) diacetate

Conditions

Conditions	Yield
With caesium carbonate In acetone at 60℃; for 48h;	86%

: 56-53-1
diethylstilbestrol

: 178432-52-5
1,10-bis(tetrahydropyranyloxy)-5-hydroxymethyl-2,8-decadiyne

: 4-[(E)-1-Ethyl-2-(4-{7-(tetrahydro-pyran-2-yloxy)-2-[4-(tetrahydro-pyran-2-yloxy)-but-2-ynyl]-hept-5-ynyloxy}-phenyl)-but-1-enyl]-phenol

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In N,N-dimethyl-formamide	83%
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 25℃;

: 927-68-4
bromoethyl acetate

: 56-53-1
diethylstilbestrol

: (E)-((hex-3-ene-3,4-diylbis(4,1-phenylene))bis(oxy))bis(ethane-2,1-diyl) diacetate

Conditions

Conditions	Yield
With caesium carbonate In acetone at 60℃; for 48h;	83%

: 56-53-1
diethylstilbestrol

A: 91318-10-4
<4,4',6,6',8,8'-2H8> trans-diethylstilbesterol

B: Z-2,3',3'',4,5,5,5',5''-octadeuterio-3,4-bis(p-hydroxyphenyl)-2-hexene

C: Z-2,2,3',3'',5,5,5',5''-octadeuteriodiethylstilbestrol

Conditions

Conditions	Yield
With diclazuril In deuteromethanol at 85℃; Yields of byproduct given;	A 73% B n/a C n/a

...Expand

: 56-53-1
diethylstilbestrol

: 74-88-4
methyl iodide

: 18839-90-2
(E)-4-[1-ethyl-2-(4-methoxyphenyl)-1-butenyl]-phenol

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide	70%

: 56-53-1
diethylstilbestrol

: sodium (E)-hex-3-ene-3,4-diylbis(4,1-phenylene)bis(sulfate)

Conditions

Conditions	Yield
Stage #1: diethylstilbestrol With chlorosulfonic acid In pyridine at -16 - 20℃; for 24h; Inert atmosphere; Stage #2: With sodium hydroxide In pyridine; water at 0 - 20℃; for 24h; pH=10; Inert atmosphere;	69%

: 628-09-1
3-Chloropropyl acetate

: 56-53-1
diethylstilbestrol

: (E)-((hex-3-ene-3,4-diylbis(4,1-phenylene))bis(oxy))bis(propane-3,1-diyl) diacetate

Conditions

Conditions	Yield
Stage #1: diethylstilbestrol With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 0.5h; Stage #2: 3-Chloropropyl acetate In N,N-dimethyl-formamide at 0 - 60℃; for 18h;	61%

: 56-53-1
diethylstilbestrol

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 1233189-53-1
DES-Si

Conditions

Conditions	Yield
With dibutyltin dilaurate In tetrahydrofuran at 20 - 75℃;	47%

: 56-53-1
diethylstilbestrol

: 92722-14-0
tert-butyl 2-(4-nitrophenyl)diazenecarboxylate

: 1262991-76-3
C40H44N4O6

Conditions

Conditions	Yield
Stage #1: diethylstilbestrol With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 1h; Inert atmosphere; Stage #2: tert-butyl 2-(4-nitrophenyl)diazenecarboxylate In N,N-dimethyl-formamide at 20℃; Inert atmosphere;	45%

: 2969-81-5
4-bromoethylbutanoate

: 56-53-1
diethylstilbestrol

: 72314-40-0
4-O-(Carbethoxypropyl)-diethylstilbestrol

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide	42%
With potassium carbonate

: 56-53-1
diethylstilbestrol

A 1-chloro-1-(4'-hydroxyphenyl)propene: 1-chloro-1-(4'-hydroxyphenyl)propene

B 4-[(E)-1-Ethyl-2-(4-hydroxy-phenyl)-but-1-enyl]-3-iodo-phenol: 4-[(E)-1-Ethyl-2-(4-hydroxy-phenyl)-but-1-enyl]-3-iodo-phenol

C: 4-[(E)-1-Ethyl-2-(4-hydroxy-phenyl)-but-1-enyl]-2-iodo-phenol

Conditions

Conditions	Yield
With chloroamine-T; potassium iodide In methanol; water at 20℃; for 0.166667h;	A n/a B n/a C 28.2%

...Expand

: 56-53-1
diethylstilbestrol

: 869-24-9
2-chloro-N,N-diethylethylamine hydrochloride

: 107190-76-1, 107443-33-4
4,4'-Bis-<(diethylamino)-ethoxy>--stilben-dihydrochlorid

Conditions

Conditions	Yield
With potassium hydroxide In water; toluene for 22h; Heating;	28%

: 358-72-5
dimethylallyl diphosphate

: 56-53-1
diethylstilbestrol

: 5-(dimethylallyl)diethylstilbestrol

Conditions

Conditions	Yield
With recombinant O-prenyltransferase from Antrodia camphorata In aq. buffer at 37℃; for 12h; pH=7; Enzymatic reaction;	21.3%

: 56-53-1
diethylstilbestrol

: 144-55-8
sodium hydrogencarbonate

: 3-(4-hydroxy-3-nitrophenyl)-4-(4-hydroxyphenyl)-3-hexene

Conditions

Conditions	Yield
With nitric acid In acetic acid (160 ml)-water	19%

: 56-53-1
diethylstilbestrol

: 85546-05-0
Pseudodiethylstilbestrol

Conditions

Conditions	Yield
With dimethyl sulfoxide for 504h;	5.9%

: 186581-53-3, 908094-01-9
diazomethane

: 71-23-8
propan-1-ol

: 60-29-7
diethyl ether

: 56-53-1
diethylstilbestrol

A: 130-79-0
Diethylstilbestrol dimethyl ether

B: 18839-90-2
(E)-4-[1-ethyl-2-(4-methoxyphenyl)-1-butenyl]-phenol

Conditions

Conditions	Yield
at 0℃;

...Expand

Diethylstilbestrol Chemical Properties

The Molecular formula of Diethylstilbestrol(56-53-1): C₁₈H₂₀O₂
The Molecular Weight of Diethylstilbestrol(56-53-1): 268.35
Molecular Structure :

EINECS: 200-278-5
Melting point: 170-172 °C(lit.)
storage temp.: 0-6°C
solubility methanol: 0.1 g/mL, clear, faintly yellow
Water Solubility: PRACTICALLY INSOLUBLE
Synonyms: LABOTEST-BB LT00233101;ALPHA,ALPHA'-DIETHYL-(E)-4,4'-STILBENEDIOL;DOMESTROL;GRAFESTROL;ESTROSYN;DIETHYLSTILBESTEROL;FONATOL;ALPHA;

Diethylstilbestrol Uses

Diethylstilbestrol(56-53-1) is a kind of hormone class medicine.

Diethylstilbestrol Toxicity Data With Reference

The TOXICITY of
1.human TDLo skin 60ug/kg/14D (0.06mg/kg)
Effect: SKIN AND APPENDAGES (SKIN): BREAST: OTHER
American Industrial Hygiene Association Journal. Vol. 20, Pg. 469, 1959.
2.mouse LD50 intraperitoneal 538mg/kg (538mg/kg)   Drugs of the Future. Vol. 8, Pg. 413, 1983.
3.mouse LD50 intravenous 300mg/kg (300mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 666, 1968.
4.mouse LD50 oral > 3gm/kg (3000mg/kg)   Drugs of the Future. Vol. 8, Pg. 413, 1983.
5.mouse LDLo subcutaneous 500mg/kg (500mg/kg)   Klinische Wochenscrift. Vol. 18, Pg. 156, 1939.
6.rat LD50 intraperitoneal 34mg/kg (34mg/kg)   Toxicology and Applied Pharmacology. Vol. 24, Pg. 142, 1973.
7.rat LD50 oral > 3gm/kg (3000mg/kg)   Drugs of the Future. Vol. 8, Pg. 413, 1983.
8.women TDLo oral 375ug/kg/30D- (0.375mg/kg)
Effect: BEHAVIORAL: TOXIC PSYCHOSIS,BEHAVIORAL: EXCITEMENT
American Journal of Psychiatry. Vol. 151, Pg. 1246, 1994.

Diethylstilbestrol Safety Profile

The Hazard Codes of Diethylstilbestrol(56-53-1):

N
HazardClass: 6.1(b)
The Risk Statements information of Diethylstilbestrol(56-53-1):
40: Limited evidence of a carcinogenic effect
45: May cause cancer
61: May cause harm to the unborn child
36/37/38: Irritating to eyes, respiratory system and skin
51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
The Safety Statements information of Diethylstilbestrol(56-53-1):
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
53: Avoid exposure - obtain special instruction before use
60: This material and/or its container must be disposed of as hazardous waste
61: Avoid release to the environment. Refer to special instructions safety data sheet
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN 3077 9/PG 3
WGK Germany: 3
RTECS: WJ5600000
F: 10
PackingGroup: III

Product Name

Diethylstilbestrol

Synthetic route

Diethylstilbestrol Chemical Properties

Diethylstilbestrol Uses

Diethylstilbestrol Toxicity Data With Reference

Diethylstilbestrol Safety Profile

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