Product Name

  • Name

    Afimoxifene

  • EINECS
  • CAS No. 68392-35-8
  • Article Data9
  • CAS DataBase
  • Density 1.092
  • Solubility
  • Melting Point 135-144°C
  • Formula C26H29 N O2
  • Boiling Point 514.4±50.0 °C(Predicted)
  • Molecular Weight 387.522
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes 63-20/21/22
  • Molecular Structure Molecular Structure of 68392-35-8 (Afimoxifene)
  • Hazard Symbols
  • Synonyms Phenol,4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]- (9CI); 4-OHT; 4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenol;Afimoxifene; TamoGel
  • PSA 32.70000
  • LogP 5.70170

Synthetic route

C37H34BrNO7

C37H34BrNO7

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

Conditions
ConditionsYield
With water In methanol for 0.0333333h; Quantum yield; Photolysis;73%
(2-chloroethyl)dimethylamine hydrochloride
4584-46-7

(2-chloroethyl)dimethylamine hydrochloride

1,1-bis(4-hydroxyphenyl)-2-phenyl-1-butene
91221-46-4

1,1-bis(4-hydroxyphenyl)-2-phenyl-1-butene

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

Conditions
ConditionsYield
Stage #1: 1,1-bis(4-hydroxyphenyl)-2-phenyl-1-butene With caesium carbonate In N,N-dimethyl-formamide for 0.5h; Reflux;
Stage #2: (2-chloroethyl)dimethylamine hydrochloride In N,N-dimethyl-formamide at 120℃; for 7h;		67%
Stage #1: 1,1-bis(4-hydroxyphenyl)-2-phenyl-1-butene With caesium carbonate In N,N-dimethyl-formamide at 70 - 80℃; for 0.166667h;
Stage #2: (2-chloroethyl)dimethylamine hydrochloride In N,N-dimethyl-formamide for 1.75h;		30%
Stage #1: 1,1-bis(4-hydroxyphenyl)-2-phenyl-1-butene With caesium carbonate In N,N-dimethyl-formamide at 80℃; for 0.166667h;
Stage #2: (2-chloroethyl)dimethylamine hydrochloride In N,N-dimethyl-formamide at 80℃; for 5.5h;		13.6%
Stage #1: 1,1-bis(4-hydroxyphenyl)-2-phenyl-1-butene With caesium carbonate In N,N-dimethyl-formamide at 80℃; for 0.166667h;
Stage #2: (2-chloroethyl)dimethylamine hydrochloride In N,N-dimethyl-formamide at 80℃; for 5.5h;		13.6%
dimethyl amine
124-40-3

dimethyl amine

E/Z-1-[4-(2-bromoethoxy)phenyl]-1-(4-hydroxyphenyl)-2-phenylbutene
147323-02-2

E/Z-1-[4-(2-bromoethoxy)phenyl]-1-(4-hydroxyphenyl)-2-phenylbutene

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

Conditions
ConditionsYield
In tetrahydrofuran at 60℃; for 43h;31%
1,1-bis(4-hydroxyphenyl)-2-phenyl-1-butene
91221-46-4

1,1-bis(4-hydroxyphenyl)-2-phenyl-1-butene

2-(dimethylamino)ethyl chloride
107-99-3

2-(dimethylamino)ethyl chloride

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

Conditions
ConditionsYield
With caesium carbonate In N,N-dimethyl-formamide Inert atmosphere;24%
Propylbenzene
103-65-1

Propylbenzene

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: potassium tert-butoxide; n-butyllithium; tetramethylethylenediamine / hexane; tetrahydrofuran / 0.5 h / 20 °C
1.2: 97 percent / hexane; tetrahydrofuran / 4.5 h / -78 - 20 °C
2.1: 93 percent / aq. hydrochloric acid / ethanol; CH2Cl2 / Heating
3.1: 90 percent / aq. sodium hydroxide; tetrabutylammonium hydrogen sulfate / 18 h / 20 °C
4.1: 57 percent / boron tribromide / CH2Cl2 / 4.5 h
5.1: 31 percent / tetrahydrofuran / 43 h / 60 °C
View Scheme
4-hydroxy-4'-methoxybenzophenone
61002-54-8

4-hydroxy-4'-methoxybenzophenone

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: sodium hydride / dimethylformamide / 1 h / 0 °C
1.2: 95 percent / dimethylformamide / 2 h / 20 °C
2.1: potassium tert-butoxide; n-butyllithium; tetramethylethylenediamine / hexane; tetrahydrofuran / 0.5 h / 20 °C
2.2: 97 percent / hexane; tetrahydrofuran / 4.5 h / -78 - 20 °C
3.1: 93 percent / aq. hydrochloric acid / ethanol; CH2Cl2 / Heating
4.1: 90 percent / aq. sodium hydroxide; tetrabutylammonium hydrogen sulfate / 18 h / 20 °C
5.1: 57 percent / boron tribromide / CH2Cl2 / 4.5 h
6.1: 31 percent / tetrahydrofuran / 43 h / 60 °C
View Scheme
4-(methoxymethoxy)-4'-methoxybenzophenone
115499-97-3

4-(methoxymethoxy)-4'-methoxybenzophenone

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: potassium tert-butoxide; n-butyllithium; tetramethylethylenediamine / hexane; tetrahydrofuran / 0.5 h / 20 °C
1.2: 97 percent / hexane; tetrahydrofuran / 4.5 h / -78 - 20 °C
2.1: 93 percent / aq. hydrochloric acid / ethanol; CH2Cl2 / Heating
3.1: 90 percent / aq. sodium hydroxide; tetrabutylammonium hydrogen sulfate / 18 h / 20 °C
4.1: 57 percent / boron tribromide / CH2Cl2 / 4.5 h
5.1: 31 percent / tetrahydrofuran / 43 h / 60 °C
View Scheme
E/Z-1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)-2-phenylbutene
850256-19-8

E/Z-1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)-2-phenylbutene

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 90 percent / aq. sodium hydroxide; tetrabutylammonium hydrogen sulfate / 18 h / 20 °C
2: 57 percent / boron tribromide / CH2Cl2 / 4.5 h
3: 31 percent / tetrahydrofuran / 43 h / 60 °C
View Scheme
1-(4-methoxymethoxyphenyl)-1-(4-methoxyphenyl)-2-phenylbutan-1-ol
671791-56-3

1-(4-methoxymethoxyphenyl)-1-(4-methoxyphenyl)-2-phenylbutan-1-ol

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 93 percent / aq. hydrochloric acid / ethanol; CH2Cl2 / Heating
2: 90 percent / aq. sodium hydroxide; tetrabutylammonium hydrogen sulfate / 18 h / 20 °C
3: 57 percent / boron tribromide / CH2Cl2 / 4.5 h
4: 31 percent / tetrahydrofuran / 43 h / 60 °C
View Scheme
E/Z-1-[4-(2-bromoethoxy)phenyl]-1-(4-methoxyphenyl)-2-phenylbut-1-ene
850256-21-2

E/Z-1-[4-(2-bromoethoxy)phenyl]-1-(4-methoxyphenyl)-2-phenylbut-1-ene

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 57 percent / boron tribromide / CH2Cl2 / 4.5 h
2: 31 percent / tetrahydrofuran / 43 h / 60 °C
View Scheme
uridine 3'-(4-hydroxytamoxifen phosphate)
1361392-98-4

uridine 3'-(4-hydroxytamoxifen phosphate)

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

Conditions
ConditionsYield
With sodium chloride pH=6; Mes-NaOH buffer; Enzymatic reaction;
4,4'-Dihydroxybenzophenone
611-99-4

4,4'-Dihydroxybenzophenone

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: titanium tetrachloride; zinc / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere; Reflux; Darkness
2.1: caesium carbonate / N,N-dimethyl-formamide / 0.17 h / 70 - 80 °C
2.2: 1.75 h
View Scheme
Multi-step reaction with 2 steps
1.1: zinc; titanium tetrachloride / tetrahydrofuran / 12 h / -20 °C / Inert atmosphere; Reflux; Darkness
2.1: caesium carbonate / N,N-dimethyl-formamide / 0.5 h / Reflux
2.2: 7 h / 120 °C
View Scheme
Multi-step reaction with 2 steps
1.1: titanium tetrachloride; zinc / tetrahydrofuran / 2 h / -10 - 95 °C / Inert atmosphere
1.2: 2 h / 0 - 95 °C / Inert atmosphere; Darkness
2.1: caesium carbonate / N,N-dimethyl-formamide / 0.17 h / 80 °C
2.2: 5.5 h / 80 °C
View Scheme
Multi-step reaction with 2 steps
1.1: zinc; titanium tetrachloride / tetrahydrofuran / 2 h / Inert atmosphere; Darkness
2.1: caesium carbonate / N,N-dimethyl-formamide / 0.17 h / 80 °C
2.2: 5.5 h / 80 °C
View Scheme
Multi-step reaction with 2 steps
1: titanium tetrachloride; zinc / tetrahydrofuran / Inert atmosphere
2: caesium carbonate / N,N-dimethyl-formamide / Inert atmosphere
View Scheme
tamoxifen
10540-29-1

tamoxifen

A

N-desmethyltamoxifen

N-desmethyltamoxifen

B

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

Conditions
ConditionsYield
With Vitamin C; Agrocybe aegerita peroxygenase; dihydrogen peroxide at 20℃; for 0.05h; pH=7; aq. phosphate buffer; Enzymatic reaction; regioselective reaction;
1-phenyl-propan-1-one
93-55-0

1-phenyl-propan-1-one

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: zinc; titanium tetrachloride / tetrahydrofuran / 12 h / -20 °C / Inert atmosphere; Reflux; Darkness
2.1: caesium carbonate / N,N-dimethyl-formamide / 0.5 h / Reflux
2.2: 7 h / 120 °C
View Scheme
Multi-step reaction with 2 steps
1.1: zinc; titanium tetrachloride / tetrahydrofuran / 2 h / Inert atmosphere; Darkness
2.1: caesium carbonate / N,N-dimethyl-formamide / 0.17 h / 80 °C
2.2: 5.5 h / 80 °C
View Scheme
Multi-step reaction with 2 steps
1: titanium tetrachloride; zinc / tetrahydrofuran / Inert atmosphere
2: caesium carbonate / N,N-dimethyl-formamide / Inert atmosphere
View Scheme
C46H54N4O7

C46H54N4O7

A

C31H39N3O3

C31H39N3O3

B

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

Conditions
ConditionsYield
for 0.166667h; Quantum yield; Kinetics; Photolysis;
C36H34BrNO5

C36H34BrNO5

A

C36H34BrNO5

C36H34BrNO5

B

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

Conditions
ConditionsYield
Claisen Rearrangement; Photolysis;
C36H34BrNO5

C36H34BrNO5

A

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

B

6-bnromo-7-hydroxy-4-(hydroxymethyl)-2H-chromen-2-one
223420-41-5

6-bnromo-7-hydroxy-4-(hydroxymethyl)-2H-chromen-2-one

Conditions
ConditionsYield
With water In methanol Quantum yield; Photolysis;
C40H44N2O4

C40H44N2O4

A

C40H44N2O4

C40H44N2O4

B

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

Conditions
ConditionsYield
Quantum yield; Claisen Rearrangement; Photolysis;
C42H44BrN3O8

C42H44BrN3O8

A

C31H39N3O3

C31H39N3O3

B

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

Conditions
ConditionsYield
With water In methanol for 0.0833333h; Quantum yield; Kinetics; Photolysis;
4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

2-methacryloyloxyethyl hydrogen succinate
20882-04-6

2-methacryloyloxyethyl hydrogen succinate

C36H41NO7

C36H41NO7

Conditions
ConditionsYield
Stage #1: 2-methacryloyloxyethyl hydrogen succinate With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 0.5h;
Stage #2: 4-hydroxytamoxifen In dichloromethane for 16h;		96.02%
Stage #1: 2-methacryloyloxyethyl hydrogen succinate With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 0.5h;
Stage #2: 4-hydroxytamoxifen In dichloromethane for 16h;		96.02%
trifluoromethylsulfonic anhydride
358-23-6

trifluoromethylsulfonic anhydride

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

(E,Z)-4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenyl trifluoromethanesulfonate
1370699-80-1

(E,Z)-4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenyl trifluoromethanesulfonate

Conditions
ConditionsYield
With pyridine In dichloromethane at 0 - 20℃; for 1h;95%
2-(dimethylamino)ethyl chloride
107-99-3

2-(dimethylamino)ethyl chloride

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

[2-(4-{1-[4-(2-Dimethylamino-ethoxy)-phenyl]-2-phenyl-but-1-enyl}-phenoxy)-ethyl]-dimethyl-amine

[2-(4-{1-[4-(2-Dimethylamino-ethoxy)-phenyl]-2-phenyl-but-1-enyl}-phenoxy)-ethyl]-dimethyl-amine

Conditions
ConditionsYield
With sodium methylate In N,N-dimethyl-formamide; toluene for 5h; Heating;83%
N1-methyl-N1-(2-phenylcyclopropyl)ethane-1,2-diamine

N1-methyl-N1-(2-phenylcyclopropyl)ethane-1,2-diamine

4-Nitrophenyl chloroformate
7693-46-1

4-Nitrophenyl chloroformate

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenyl (2-(methyl(2-phenylcyclopropyl)amino)ethyl)carbamate

4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenyl (2-(methyl(2-phenylcyclopropyl)amino)ethyl)carbamate

Conditions
ConditionsYield
Stage #1: 4-Nitrophenyl chloroformate; 4-hydroxytamoxifen With pyridine In dichloromethane at 20℃; for 24h; Cooling with ice;
Stage #2: N1-methyl-N1-(2-phenylcyclopropyl)ethane-1,2-diamine With triethylamine In dichloromethane at 20℃; for 22h; Cooling with ice;		68.4%
...Expand
pivaloyl chloride
3282-30-2

pivaloyl chloride

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

A

2,2-Dimethyl-propionic acid 4-{(Z)-1-[4-(2-dimethylamino-ethoxy)-phenyl]-2-phenyl-but-1-enyl}-phenyl ester

2,2-Dimethyl-propionic acid 4-{(Z)-1-[4-(2-dimethylamino-ethoxy)-phenyl]-2-phenyl-but-1-enyl}-phenyl ester

B

(E)-4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenyl pivalate

(E)-4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenyl pivalate

Conditions
ConditionsYield
With sodium hydroxide In chloroform for 3h; Ambient temperature; Title compound not separated from byproducts;
...Expand
acetyl chloride
75-36-5

acetyl chloride

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

A

(E)-4-{1-[4-(2-dimethylaminoethoxy)phenyl]-2-phenylbut-1-enyl}phenyl acetate
76117-70-9

(E)-4-{1-[4-(2-dimethylaminoethoxy)phenyl]-2-phenylbut-1-enyl}phenyl acetate

B

C28H31NO3

C28H31NO3

Conditions
ConditionsYield
With pyridine for 1h; Friedel Crafts Acylation; Heating / reflux;
...Expand
5'-O-(4,4'-dimethoxytrityl)-2'-O-(tert-butyldimethylsilyl)uridine-3'-[(2-cyanoethyl)-(N,N-diisopropyl)]phosphoramidite
144490-31-3, 118362-03-1, 131349-31-0, 131349-37-6

5'-O-(4,4'-dimethoxytrityl)-2'-O-(tert-butyldimethylsilyl)uridine-3'-[(2-cyanoethyl)-(N,N-diisopropyl)]phosphoramidite

4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

C65H75N4O12PSi
1361390-71-7

C65H75N4O12PSi

Conditions
ConditionsYield
Stage #1: 5'-O-(4,4'-dimethoxytrityl)-2'-O-(tert-butyldimethylsilyl)uridine-3'-[(2-cyanoethyl)-(N,N-diisopropyl)]phosphoramidite; 4-hydroxytamoxifen With N-methylbenzimidazolium triflate In acetonitrile for 2.5h; Molecular sieve;
Stage #2: With pyridine; water; iodine In tetrahydrofuran for 1h;
4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

N,N-dimethyl-2-(4-(2-phenyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)but-1-en-1-yl)phenoxy)ethanamine
1370699-81-2

N,N-dimethyl-2-(4-(2-phenyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)but-1-en-1-yl)phenoxy)ethanamine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: pyridine / dichloromethane / 1 h / 0 - 20 °C
2: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate / 1,4-dioxane / 80 °C / Inert atmosphere
View Scheme
4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

potassium [4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenyl]trifluoroboranuide
1371574-63-8

potassium [4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenyl]trifluoroboranuide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: pyridine / dichloromethane / 1 h / 0 - 20 °C
2: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate / 1,4-dioxane / 80 °C / Inert atmosphere
3: potassium hydrogen difluoride / methanol; water / 0.25 h / 20 °C
View Scheme
4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

(4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenyl)boronic acid
1370699-82-3

(4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenyl)boronic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: pyridine / dichloromethane / 1 h / 0 - 20 °C
2: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate / 1,4-dioxane / 80 °C / Inert atmosphere
3: potassium hydrogen difluoride / methanol; water / 0.25 h / 20 °C
4: chloro-trimethyl-silane / water; acetonitrile / 1 h / 20 °C
View Scheme
4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

(E/Z)-4-hydroxy-N-desmethyltamoxifen hydrochloride
1197194-41-4

(E/Z)-4-hydroxy-N-desmethyltamoxifen hydrochloride

Conditions
ConditionsYield
Stage #1: 4-hydroxytamoxifen With carbonochloridic acid 1-chloro-ethyl ester; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In dichloromethane at 0℃; for 12.5h; Reflux;
Stage #2: With hydrogenchloride In methanol; water for 3h; Reflux;
4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

C43H44N4O4
1426676-56-3

C43H44N4O4

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: carbonochloridic acid 1-chloro-ethyl ester; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene / dichloromethane / 12.5 h / 0 °C / Reflux
1.2: 3 h / Reflux
2.1: dichloromethane / 8 h / 20 °C
3.1: trifluoroacetic acid / dichloromethane / 3 h / 20 °C
3.2: 20 °C
View Scheme
4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

C47H52N4O6
1426676-59-6

C47H52N4O6

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: carbonochloridic acid 1-chloro-ethyl ester; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene / dichloromethane / 12.5 h / 0 °C / Reflux
1.2: 3 h / Reflux
2.1: dichloromethane / 8 h / 20 °C
3.1: trifluoroacetic acid / dichloromethane / 20 °C
3.2: 20 °C
View Scheme
4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

C45H53ClN7O4Pt(2+)*2NO3(1-)

C45H53ClN7O4Pt(2+)*2NO3(1-)

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: carbonochloridic acid 1-chloro-ethyl ester; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene / dichloromethane / 12.5 h / 0 °C / Reflux
1.2: 3 h / Reflux
2.1: dichloromethane / 8 h / 20 °C
3.1: trifluoroacetic acid / dichloromethane / 3 h / 20 °C
3.2: 20 °C
4.1: silver nitrate / N,N-dimethyl-formamide
4.2: 120 h / -10 - 4 °C
4.3: 0.5 h / 20 °C
View Scheme
4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

C49H61ClN7O6Pt(2+)*2NO3(1-)

C49H61ClN7O6Pt(2+)*2NO3(1-)

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: carbonochloridic acid 1-chloro-ethyl ester; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene / dichloromethane / 12.5 h / 0 °C / Reflux
1.2: 3 h / Reflux
2.1: dichloromethane / 8 h / 20 °C
3.1: trifluoroacetic acid / dichloromethane / 20 °C
3.2: 20 °C
4.1: silver nitrate / N,N-dimethyl-formamide
4.2: -10 - 4 °C
4.3: 20 °C
View Scheme
4-hydroxytamoxifen
68392-35-8

4-hydroxytamoxifen

C48H52N4O6

C48H52N4O6

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: carbonochloridic acid 1-chloro-ethyl ester; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene / dichloromethane / 12.5 h / 0 °C / Reflux
1.2: 3 h / Reflux
2.1: dichloromethane / 8 h / 20 °C
View Scheme

Afimoxifene Chemical Properties

Molecular Structure of Afimoxifene (CAS NO.68392-35-8):

IUPAC Name: 4-[(Z)-1-[4-(2-Dimethylaminoethyloxy)phenyl]-2-phenylbut-1-enyl]phenol 
Molecular Formula: C26H29NO2
Molecular Weight: 387.51 
Index of Refraction: 1.596
Molar Refractivity: 120.77 cm3
Molar Volume: 354.6 cm3
Surface Tension: 43.9 dyne/cm
Density: 1.092 g/cm3
Flash Point: 264.9 °C
Enthalpy of Vaporization: 81.57 kJ/mol
Boiling Point: 514.4 °C at 760 mmHg
Vapour Pressure: 3.35E-11 mmHg at 25 °C
Canonical SMILES: CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3
Isomeric SMILES: CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3
InChI: InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
InChIKey: TXUZVZSFRXZGTL-QPLCGJKRSA-N
Classification Code: Estrogen Antagonists; Estrogen Receptor Modulators; Hormone Antagonists; Hormones, Hormone Substitutes, and Hormone Antagonists

Afimoxifene Uses

 Afimoxifene (CAS NO.68392-35-8) is a selective estrogen receptor modulator whose active ingredient is 4-Hydroxytamoxifen which is identical to the active metabolite of tamoxifen.

Afimoxifene Specification

 Afimoxifene (CAS NO.68392-35-8), its Synonyms are 4-Hydroxytamoxifen ; 4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenylbut-1-enyl)phenol ; Phenol, 4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-, ; Phenol,4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]- ; Phenol,4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]- (9CI) ; 4-OHT ; TamoGel .

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