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7599-79-3

Basic Information
CAS No.: 7599-79-3
Name: trans-clomifene citrate
Article Data: 3
Molecular Structure:
Molecular Structure of 7599-79-3 (trans-clomifene citrate)
Formula: C26H28ClNO•C6H8O7
Molecular Weight: 598.093
Density: g/cm3
Melting Point: 143-145°C
Boiling Point: 509°Cat760mmHg
Flash Point: 261.6°C
Safety: An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits very toxic fumes of Cl and NOx.
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
77-92-9

citric acid

7599-79-3

clomiphene citrate

Conditions
ConditionsYield
In ethanol; water at 65℃; Solvent;20.2 g
7599-79-3

clomiphene citrate

Conditions
ConditionsYield
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
ConditionsYield
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
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Chemistry

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  .

Safety Profile

An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits very toxic fumes of Cl and NOx.

Specification

Its extinguishing agent is sand, dry powder and foam.