• Name

  trans-clomifene citrate

• EINECS
• CAS No. 7599-79-3
• Article Data3
• CAS DataBase
• Density g/cm³
• Solubility
• Melting Point 143-145°C
• Formula C₂₆H₂₈ClNO•C₆H₈O₇
• Boiling Point 509°Cat760mmHg
• Molecular Weight 598.093
• Flash Point 261.6°C
• Transport Information
• Appearance
• Safety An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits very toxic fumes of Cl⁻ and NO_x.
• Risk Codes
• Molecular Structure
• Hazard Symbols
• Synonyms
• PSA 144.60000
• LogP 5.31410

Synthetic route

ethanamine, 2-[4-[(1E)-2-chloro-1,2-diphenyl ethenyl]phenoxy]-N,N-diethyl-, (±)-1,1‘-binaphthyl-2,2’-diylhydrogenphosphate

77-92-9

citric acid

7599-79-3

clomiphene citrate

Conditions

Conditions	Yield
Stage #1: ethanamine, 2-[4-[(1E)-2-chloro-1,2-diphenyl ethenyl]phenoxy]-N,N-diethyl-, (±)-1,1‘-binaphthyl-2,2’-diylhydrogenphosphate With sodium hydroxide In water; toluene at 20℃; for 2h; Stage #2: citric acid In acetone at 0 - 50℃; for 2h;	97.07 g
Stage #1: ethanamine, 2-[4-[(1E)-2-chloro-1,2-diphenyl ethenyl]phenoxy]-N,N-diethyl-, (±)-1,1‘-binaphthyl-2,2’-diylhydrogenphosphate With ammonia In ethyl acetate Stage #2: citric acid In ethanol; ethyl acetate at 20℃; for 1h;
Stage #1: ethanamine, 2-[4-[(1E)-2-chloro-1,2-diphenyl ethenyl]phenoxy]-N,N-diethyl-, (±)-1,1‘-binaphthyl-2,2’-diylhydrogenphosphate With ammonium hydroxide In tert-butyl methyl ether; water; isopropyl alcohol for 1h; Stage #2: citric acid In ethanol; water at 60 - 65℃;	269 g

1-{4-[2-(diethylamino)ethoxy]phenyl}-1,2-diphenylethanol

7599-79-3

clomiphene citrate

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: hydrogenchloride / toluene / Dean-Stark; Reflux 2.1: acetic acid; 1,3-dichloro-5,5-dimethylhydantoin / toluene / 2 h / 60 °C 2.2: 4.5 h / 0 °C / Heating 3.1: methanol / 1 h / 20 - 45 °C 4.1: sodium hydroxide / toluene; water / 2 h / 20 °C 4.2: 2 h / 0 - 50 °C View Scheme

50-41-9

clomifene citrate

7599-79-3

clomiphene citrate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: methanol / 1 h / 20 - 45 °C 2.1: sodium hydroxide / toluene; water / 2 h / 20 °C 2.2: 2 h / 0 - 50 °C View Scheme

19957-52-9

2-{4-(1,2-diphenylethenyl)phenoxy}-N,N-diethylethanamine hydrochloride

7599-79-3

clomiphene citrate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: acetic acid; 1,3-dichloro-5,5-dimethylhydantoin / toluene / 2 h / 60 °C 1.2: 4.5 h / 0 °C / Heating 2.1: methanol / 1 h / 20 - 45 °C 3.1: sodium hydroxide / toluene; water / 2 h / 20 °C 3.2: 2 h / 0 - 50 °C View Scheme

73404-00-9

1-{4-[2-(diethylamino)ethoxy]phenyl}-1,2-diphenylethanol

7599-79-3

clomiphene citrate

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: sulfuric acid / dichloromethane / 1 h / 0 - 20 °C 2.1: N-chloro-succinimide / dichloromethane / 32 h / 20 °C 2.2: 0.5 h / 20 °C / pH 8 - 9 3.1: methanol / 2 h / 20 °C 4.1: ammonia / ethyl acetate 4.2: 1 h / 20 °C View Scheme

911-45-5

clomiphene

7599-79-3

clomiphene citrate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: methanol / 2 h / 20 °C 2.1: ammonia / ethyl acetate 2.2: 1 h / 20 °C View Scheme

2-{4-[(Z)-1,2-diphenylvinyl]phenoxy}-N,N-diethylethanaminium hydrogen sulfate

7599-79-3

clomiphene citrate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: N-chloro-succinimide / dichloromethane / 32 h / 20 °C 1.2: 0.5 h / 20 °C / pH 8 - 9 2.1: methanol / 2 h / 20 °C 3.1: ammonia / ethyl acetate 3.2: 1 h / 20 °C View Scheme

911-45-5, 15690-55-8, 15690-57-0

clomiphene

77-92-9

citric acid

7599-79-3

clomiphene citrate

Conditions

Conditions	Yield
In ethanol; water at 65℃; Solvent;	20.2 g

7599-79-3

clomiphene citrate

911-45-5, 15690-55-8, 15690-57-0

clomiphene

Conditions

Conditions	Yield
With sodium hydroxide In ethyl acetate for 0.5h;	99%

7599-79-3

clomiphene citrate

(Z)-N,N-diethyl-2-(4-(5-(oxiran-2-ylmethoxy)-1,2-diphenylpent-1-en-1-yl)phenoxy)ethan-1-amine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium hydroxide / ethyl acetate / 0.5 h 2.1: tert.-butyl lithium / pentane; tetrahydrofuran / 18.5 h / -40 - 20 °C 3.1: tetrabutylammomium bromide; sodium hydroxide 3.2: 15 h / 20 °C View Scheme

7599-79-3

clomiphene citrate

(Z)-1-(1,4,7,10-tetraazacyclododecan-1-yl)-3-((5-(4-(2-(diethylamino)ethoxy)phenyl)-4,5-diphenylpent-4-en-1-yl)oxy)propan-2-ol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: sodium hydroxide / ethyl acetate / 0.5 h 2.1: tert.-butyl lithium / pentane; tetrahydrofuran / 18.5 h / -40 - 20 °C 3.1: tetrabutylammomium bromide; sodium hydroxide 3.2: 15 h / 20 °C 4.1: toluene / 16 h / 100 °C View Scheme

7599-79-3

clomiphene citrate

(Z)-1-(1,4,8,11-tetraazacyclotetradecan-1-yl)-3-((5-(4-(2-(diethylamino)ethoxy)phenyl)-4,5-diphenylpent-4-en-1-yl)oxy)propan-2-ol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: sodium hydroxide / ethyl acetate / 0.5 h 2.1: tert.-butyl lithium / pentane; tetrahydrofuran / 18.5 h / -40 - 20 °C 3.1: tetrabutylammomium bromide; sodium hydroxide 3.2: 15 h / 20 °C 4.1: toluene / 100 °C View Scheme

7599-79-3

clomiphene citrate

tri-tert-butyl (Z)-11-(3-((5-(4-(2-(diethylamino)ethoxy)phenyl)-4,5-diphenylpent-4-en-1-yl)oxy)-2-hydroxypropyl)-1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: sodium hydroxide / ethyl acetate / 0.5 h 2.1: tert.-butyl lithium / pentane; tetrahydrofuran / 18.5 h / -40 - 20 °C 3.1: tetrabutylammomium bromide; sodium hydroxide 3.2: 15 h / 20 °C 4.1: toluene / 100 °C 5.1: acetonitrile View Scheme

7599-79-3

clomiphene citrate

C42H63N5O3*(x)ClH

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1.1: sodium hydroxide / ethyl acetate / 0.5 h 2.1: tert.-butyl lithium / pentane; tetrahydrofuran / 18.5 h / -40 - 20 °C 3.1: tetrabutylammomium bromide; sodium hydroxide 3.2: 15 h / 20 °C 4.1: toluene / 100 °C 5.1: acetonitrile 6.1: hydrogenchloride; triethylsilane / water; methanol / 4 h / 20 °C View Scheme

7599-79-3

clomiphene citrate

C40H59N5O3*(x)ClH

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: sodium hydroxide / ethyl acetate / 0.5 h 2.1: tert.-butyl lithium / pentane; tetrahydrofuran / 18.5 h / -40 - 20 °C 3.1: tetrabutylammomium bromide; sodium hydroxide 3.2: 15 h / 20 °C 4.1: toluene / 16 h / 100 °C 5.1: hydrogenchloride / water / pH 5 - 7 View Scheme

7599-79-3

clomiphene citrate

133157-86-5

(Z)-1-<4-(2-diethylaminoethoxy)phenyl>-1,2-diphenyl-1-penten-5-ol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium hydroxide / ethyl acetate / 0.5 h 2: tert.-butyl lithium / pentane; tetrahydrofuran / 18.5 h / -40 - 20 °C View Scheme

trans-CLOMIPHENE CITRATE Chemical Properties

The molecular formula of trans-CLOMIPHENE CITRATE (7599-79-3) is C₃₂H₃₆ClNO₈  and its formula weight is 598.14 g/mol.The boiling point is 509°C at 760mmHg.Enthalpy of vaporization is 77.94 kJ/mol.Its flash point is  261.6°C and the vapor pressenge is 1.77E-10 mmHg at 25°C .The chemical synonyms of trans-CLOMIPHENE CITRATE (7599-79-3) are trans-clomifene citrate .The molecular structure of trans-CLOMIPHENE CITRATE (7599-79-3) is  .

trans-CLOMIPHENE CITRATE Safety Profile

trans-CLOMIPHENE CITRATE Specification