Product Name

  • Name

    1-(2-CHLOROETHYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE DIHYDROCHLORIDE

  • EINECS 1533716-785-6
  • CAS No. 57061-71-9
  • Article Data16
  • CAS DataBase
  • Density 1.244 g/cm3
  • Solubility
  • Melting Point
  • Formula C13H16ClF3N2
  • Boiling Point 352.6 °C at 760 mmHg
  • Molecular Weight 292.732
  • Flash Point 167.1 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 57061-71-9 (1-(2-CHLOROETHYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE DIHYDROCHLORIDE)
  • Hazard Symbols
  • Synonyms 1-(2-chloroethyl)-4-[3-(trifluoromethyl)phenyl]piperazine dihydrochloride; 1-(2-chloroethyl)-4-[3-(trifluoromethyl)phenyl]piperazine,dihydrochloride
  • PSA 6.48000
  • LogP 4.67310

Synthetic route

N-2-hydroxyethyl-N'-(3-trifluoromethylphenyl)-piperazine
40004-29-3

N-2-hydroxyethyl-N'-(3-trifluoromethylphenyl)-piperazine

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

Conditions
ConditionsYield
With thionyl chloride In dichloromethane for 2h; Reagent/catalyst; Solvent; Cooling with ice; Reflux;96%
With thionyl chloride In 1,2-dichloro-ethane at 20 - 80℃; for 4h; Temperature; Large scale;88%
1-Bromo-2-chloroethane
107-04-0

1-Bromo-2-chloroethane

1-(3-Trifluoromethylphenyl)piperazine
15532-75-9

1-(3-Trifluoromethylphenyl)piperazine

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

Conditions
ConditionsYield
With sodium hydroxide In acetone at 20℃; for 48h;79%
With sodium carbonate In N,N-dimethyl-formamide for 22h; Ambient temperature;
Stage #1: 1-(3-Trifluoromethylphenyl)piperazine With sodium hydroxide In dimethyl sulfoxide for 0.166667h;
Stage #2: 1-Bromo-2-chloroethane In dimethyl sulfoxide for 24h;
2-chloro-1-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethanone

2-chloro-1-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethanone

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran; diethyl ether at 40℃; for 0.5h;60%
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

tris-(2-chloroethyl)amine hydrochloride
817-09-4

tris-(2-chloroethyl)amine hydrochloride

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

Conditions
ConditionsYield
With potassium carbonate In butan-1-ol at 115 - 120℃; for 22h; Time;52.8%
tris-(2-chloro-ethyl)-amine
555-77-1

tris-(2-chloro-ethyl)-amine

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

Conditions
ConditionsYield
With potassium carbonate In butan-1-ol at 115 - 120℃; for 24h;45.9%
1-Bromo-2-chloroethane
107-04-0

1-Bromo-2-chloroethane

1-(3-Trifluoromethylphenyl)piperazine
15532-75-9

1-(3-Trifluoromethylphenyl)piperazine

A

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

B

4,4'-bis-(3-trifluoromethyl-phenyl)-1,1'-ethane-1,2-diyl-bis-piperazine
51299-16-2

4,4'-bis-(3-trifluoromethyl-phenyl)-1,1'-ethane-1,2-diyl-bis-piperazine

Conditions
ConditionsYield
In toluene for 6h; Alkylation; Heating;
...Expand
1-Bromo-2-chloroethane
107-04-0

1-Bromo-2-chloroethane

1-[3-(trifluoromethyl)phenyl]piperazine hydrochloride

1-[3-(trifluoromethyl)phenyl]piperazine hydrochloride

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

Conditions
ConditionsYield
With triethylamine In hexane; dichloromethane
With triethylamine In hexane; dichloromethane
With triethylamine In dichloromethane for 9h; Heating / reflux;
With triethylamine In hexane; dichloromethane
1-[3-(trifluoromethyl)phenyl]piperazine hydrochloride

1-[3-(trifluoromethyl)phenyl]piperazine hydrochloride

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide / acetone / 4 h / 20 - 60 °C / Large scale
2: thionyl chloride / 1,2-dichloro-ethane / 4 h / 20 - 80 °C / Large scale
View Scheme
4H-pyrido[3,2-b][1,4]oxazin-3-one
20348-09-8

4H-pyrido[3,2-b][1,4]oxazin-3-one

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

4-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-4H-pyrido[3,2-b][1,4]oxazin-3-one

4-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-4H-pyrido[3,2-b][1,4]oxazin-3-one

Conditions
ConditionsYield
With sodium ethanolate In N,N-dimethyl-formamide for 2h; Heating;92%
1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one
52099-72-6

1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

BIMT 17 hydrochloride
147359-76-0

BIMT 17 hydrochloride

Conditions
ConditionsYield
Stage #1: 1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one; 1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane With potassium carbonate In dimethyl sulfoxide at 58℃; for 8h; Large scale;
Stage #2: With hydrogenchloride In ethanol; water at 65℃; for 2h; Temperature; Large scale;		77%
1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

C9H6NO3(1-)*Na(1+)

C9H6NO3(1-)*Na(1+)

6-Acetyl-3-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3H-benzooxazol-2-one
81522-22-7

6-Acetyl-3-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3H-benzooxazol-2-one

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 1h; Heating;70%
1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

1-(2-azidoethyl)-4-(3-trifluoromethylphenyl)piperazine
670234-48-7

1-(2-azidoethyl)-4-(3-trifluoromethylphenyl)piperazine

Conditions
ConditionsYield
With sodium azide In N,N-dimethyl-formamide at 60℃; for 16h;67.3%
With sodium azide In N,N-dimethyl-formamide at 50℃; for 10h;
1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

C10H8NO3(1-)*Na(1+)

C10H8NO3(1-)*Na(1+)

6-Propionyl-3-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3H-benzooxazol-2-one
81514-00-3

6-Propionyl-3-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3H-benzooxazol-2-one

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 1h; Heating;62%
1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

C14H7ClNO3(1-)*Na(1+)

C14H7ClNO3(1-)*Na(1+)

6-(2-Chloro-benzoyl)-3-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3H-benzooxazol-2-one
81533-87-1

6-(2-Chloro-benzoyl)-3-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3H-benzooxazol-2-one

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 1h; Heating;61%
2-ethoxy-1H-benzo[d]imidazole
22219-23-4

2-ethoxy-1H-benzo[d]imidazole

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

flibanserin

flibanserin

Conditions
ConditionsYield
Stage #1: 2-ethoxy-1H-benzo[d]imidazole; 1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane With sodium hydroxide In water; isopropyl alcohol at 75℃; for 2h;
Stage #2: With hydrogenchloride; isopropyl chloride at 4 - 70℃; for 2h; Temperature;		56.2%
1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

3-hydroxy-3,4-dihydrobenzotriazine-4-one
28230-32-2

3-hydroxy-3,4-dihydrobenzotriazine-4-one

3-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethoxy}-3H-benzo[d][1,2,3]triazin-4-one

3-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethoxy}-3H-benzo[d][1,2,3]triazin-4-one

Conditions
ConditionsYield
With sodium hydroxide In ethanol for 24h; Substitution; Heating;40%
1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

3-<2-<4-<3-(trifluoromethyl)phenyl>-1-piperazinyl>ethyl>oxazolo<4,5-b>pyridin-2(3H)-one

3-<2-<4-<3-(trifluoromethyl)phenyl>-1-piperazinyl>ethyl>oxazolo<4,5-b>pyridin-2(3H)-one

Conditions
ConditionsYield
40%
3H-benzooxazol-2-one; sodium salt
42142-71-2

3H-benzooxazol-2-one; sodium salt

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

3-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3H-benzooxazol-2-one
81513-96-4

3-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3H-benzooxazol-2-one

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 1h; Heating;38%
1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

C14H8NO3(1-)*Na(1+)

C14H8NO3(1-)*Na(1+)

6-Benzoyl-3-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3H-benzooxazol-2-one
81513-99-7

6-Benzoyl-3-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3H-benzooxazol-2-one

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 1h; Heating;37%
2,3-dihydro[1,3]oxazolo[4,5-b]pyridin-2-one
60832-72-6

2,3-dihydro[1,3]oxazolo[4,5-b]pyridin-2-one

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

3-<2-<4-<3-(trifluoromethyl)phenyl>-1-piperazinyl>ethyl>oxazolo<4,5-b>pyridin-2(3H)-one

3-<2-<4-<3-(trifluoromethyl)phenyl>-1-piperazinyl>ethyl>oxazolo<4,5-b>pyridin-2(3H)-one

Conditions
ConditionsYield
With sodium ethanolate 1.) EtOH, RT, 1 h, 2.) DMF, reflux, 1.5 h; Yield given. Multistep reaction;
(E)-5-Benzylidene-6-methyl-(4H)-pyridazin-3-on
26717-37-3

(E)-5-Benzylidene-6-methyl-(4H)-pyridazin-3-on

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

6-Methyl-5-[1-phenyl-meth-(E)-ylidene]-2-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-4,5-dihydro-2H-pyridazin-3-one

6-Methyl-5-[1-phenyl-meth-(E)-ylidene]-2-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-4,5-dihydro-2H-pyridazin-3-one

Conditions
ConditionsYield
With sodium ethanolate 1.) ethanol, reflux, 1 h, 2.) DMF, reflux, 10 h; Yield given. Multistep reaction;
5-(4-Methylbenzylidene)-6-methyl-(4H)-pyridazin-3-on
132372-50-0

5-(4-Methylbenzylidene)-6-methyl-(4H)-pyridazin-3-on

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

6-Methyl-5-[1-p-tolyl-meth-(E)-ylidene]-2-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-4,5-dihydro-2H-pyridazin-3-one

6-Methyl-5-[1-p-tolyl-meth-(E)-ylidene]-2-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-4,5-dihydro-2H-pyridazin-3-one

Conditions
ConditionsYield
With sodium ethanolate 1.) ethanol, reflux, 1 h, 2.) DMF, reflux, 10 h; Yield given. Multistep reaction;
5-(4-Fluorobenzylidene)-6-methyl-(4H)-pyridazin-3-on
132372-49-7

5-(4-Fluorobenzylidene)-6-methyl-(4H)-pyridazin-3-on

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

5-[1-(4-Fluoro-phenyl)-meth-(E)-ylidene]-6-methyl-2-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-4,5-dihydro-2H-pyridazin-3-one

5-[1-(4-Fluoro-phenyl)-meth-(E)-ylidene]-6-methyl-2-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-4,5-dihydro-2H-pyridazin-3-one

Conditions
ConditionsYield
With sodium ethanolate 1.) ethanol, reflux, 1 h, 2.) DMF, reflux, 10 h; Yield given. Multistep reaction;
1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethan-1-amine
27144-85-0

2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethan-1-amine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 67.3 percent / NaN3 / dimethylformamide / 16 h / 60 °C
2: 83.6 percent / PPh3 / tetrahydrofuran; H2O / 2 h / 20 °C
View Scheme
1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

2-nitro-3-{2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethylamino}phenol
670234-43-2

2-nitro-3-{2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethylamino}phenol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: 67.3 percent / NaN3 / dimethylformamide / 16 h / 60 °C
2.1: 83.6 percent / PPh3 / tetrahydrofuran; H2O / 2 h / 20 °C
3.1: K2CO3 / dimethylformamide / 2 h / 50 °C
3.2: 79 percent / 2-(methylsulfonyl)ethanol; NaH / dimethylformamide / 0.5 h / 20 °C
View Scheme
1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

3,4,5-trihydroxy-6-(2-oxo-1-{2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethyl}-2,3-dihydro-1H-benzoimidazol-4-yloxy)-tetrahydropyran-2-carboxylic acid

3,4,5-trihydroxy-6-(2-oxo-1-{2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethyl}-2,3-dihydro-1H-benzoimidazol-4-yloxy)-tetrahydropyran-2-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1.1: 67.3 percent / NaN3 / dimethylformamide / 16 h / 60 °C
2.1: 83.6 percent / PPh3 / tetrahydrofuran; H2O / 2 h / 20 °C
3.1: K2CO3 / dimethylformamide / 2 h / 50 °C
3.2: 79 percent / 2-(methylsulfonyl)ethanol; NaH / dimethylformamide / 0.5 h / 20 °C
4.1: 80 percent / 1,1,4,7,10,10-Hexamethyltriethylenetetramine; Ag2CO3 / acetonitrile / 0.5 h / 20 °C
5.1: H2 / Pd/C / tetrahydrofuran / 30 h / 20 °C / 3375.27 Torr
6.1: 5.1 g / tetrahydrofuran / 48 h
7.1: 42 percent / aq. LiOH / tetrahydrofuran / 168 h / 20 °C
View Scheme
1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

(2S,3S,4S,5R,6S)-6-(2-Amino-3-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethylamino}-phenoxy)-3,4,5-tris-(2,2-dimethyl-propionyloxy)-tetrahydro-pyran-2-carboxylic acid methyl ester

(2S,3S,4S,5R,6S)-6-(2-Amino-3-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethylamino}-phenoxy)-3,4,5-tris-(2,2-dimethyl-propionyloxy)-tetrahydro-pyran-2-carboxylic acid methyl ester

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: 67.3 percent / NaN3 / dimethylformamide / 16 h / 60 °C
2.1: 83.6 percent / PPh3 / tetrahydrofuran; H2O / 2 h / 20 °C
3.1: K2CO3 / dimethylformamide / 2 h / 50 °C
3.2: 79 percent / 2-(methylsulfonyl)ethanol; NaH / dimethylformamide / 0.5 h / 20 °C
4.1: 80 percent / 1,1,4,7,10,10-Hexamethyltriethylenetetramine; Ag2CO3 / acetonitrile / 0.5 h / 20 °C
5.1: H2 / Pd/C / tetrahydrofuran / 30 h / 20 °C / 3375.27 Torr
View Scheme
1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

methyl 3-[[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]amino]-2-nitrophenyl-2,3,4-tris-O-(2,2-dimethylpropanoyl)-β-D-glucopyranosiduronate
670234-44-3

methyl 3-[[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]amino]-2-nitrophenyl-2,3,4-tris-O-(2,2-dimethylpropanoyl)-β-D-glucopyranosiduronate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: 67.3 percent / NaN3 / dimethylformamide / 16 h / 60 °C
2.1: 83.6 percent / PPh3 / tetrahydrofuran; H2O / 2 h / 20 °C
3.1: K2CO3 / dimethylformamide / 2 h / 50 °C
3.2: 79 percent / 2-(methylsulfonyl)ethanol; NaH / dimethylformamide / 0.5 h / 20 °C
4.1: 80 percent / 1,1,4,7,10,10-Hexamethyltriethylenetetramine; Ag2CO3 / acetonitrile / 0.5 h / 20 °C
View Scheme
1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

(2S,3S,4S,5R,6S)-3,4,5-Tris-(2,2-dimethyl-propionyloxy)-6-(2-oxo-1-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-1H-benzoimidazol-4-yloxy)-tetrahydro-pyran-2-carboxylic acid methyl ester
670234-49-8

(2S,3S,4S,5R,6S)-3,4,5-Tris-(2,2-dimethyl-propionyloxy)-6-(2-oxo-1-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-1H-benzoimidazol-4-yloxy)-tetrahydro-pyran-2-carboxylic acid methyl ester

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: 67.3 percent / NaN3 / dimethylformamide / 16 h / 60 °C
2.1: 83.6 percent / PPh3 / tetrahydrofuran; H2O / 2 h / 20 °C
3.1: K2CO3 / dimethylformamide / 2 h / 50 °C
3.2: 79 percent / 2-(methylsulfonyl)ethanol; NaH / dimethylformamide / 0.5 h / 20 °C
4.1: 80 percent / 1,1,4,7,10,10-Hexamethyltriethylenetetramine; Ag2CO3 / acetonitrile / 0.5 h / 20 °C
5.1: H2 / Pd/C / tetrahydrofuran / 30 h / 20 °C / 3375.27 Torr
6.1: 5.1 g / tetrahydrofuran / 48 h
View Scheme
1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

4-hydroxy-2-mercaptopyrimidine
141-90-2

4-hydroxy-2-mercaptopyrimidine

C17H19F3N4OS

C17H19F3N4OS

N,N-dimethylformamide(DMF)

N,N-dimethylformamide(DMF)

1,5,6,7-tetrahydro-indol-4-one
13754-86-4

1,5,6,7-tetrahydro-indol-4-one

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane
57061-71-9

1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane

1-{2-[4-(3-trifluoromethylphenyl)piperazine-1-yl]ethyl}-1,5,6,7-tetrahydroindol-4-one
496921-68-7

1-{2-[4-(3-trifluoromethylphenyl)piperazine-1-yl]ethyl}-1,5,6,7-tetrahydroindol-4-one

Conditions
ConditionsYield
With hydrogenchloride In 1,4-dioxane; methanol; hexane; dichloromethane; N,N-dimethyl-formamide
With hydrogenchloride In 1,4-dioxane; methanol; hexane; dichloromethane; N,N-dimethyl-formamide
...Expand

1-(2-Chloroethyl)-4-[3-(trifluoromethyl)phenyl]piperazine Specification

The chemical with CAS registry number of 57061-71-9 is known as Piperazine,1-(2-chloroethyl)-4-[3-(trifluoromethyl)phenyl]-. The systematic name is 1-(2-Chloroethyl)-4-[3-(trifluoromethyl)phenyl]piperazine. In addition, the formula is C13H16ClF3N2 and the molecular weight is 292.73.

Physical properties about Piperazine,1-(2-chloroethyl)-4-[3-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 3.72; (2)ACD/LogD (pH 5.5): 3.41; (3)ACD/LogD (pH 7.4): 3.72; (4)ACD/BCF (pH 5.5): 193.39; (5)ACD/BCF (pH 7.4): 391.78; (6)ACD/KOC (pH 5.5): 1228.75; (7)ACD/KOC (pH 7.4): 2489.28; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.499; (11)Molar Refractivity: 69.17 cm3; (12)Molar Volume: 235.2 cm3; (13)Surface Tension: 34 dyne/cm; (14)Density: 1.244 g/cm3; (15)Flash Point: 167.1 °C; (16)Enthalpy of Vaporization: 59.75 kJ/mol; (17)Boiling Point: 352.6 °C at 760 mmHg; (18)Vapour Pressure: 3.79E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: ClCCN2CCN(c1cc(ccc1)C(F)(F)F)CC2
2. InChI: InChI=1/C13H16ClF3N2/c14-4-5-18-6-8-19(9-7-18)12-3-1-2-11(10-12)13(15,16)17/h1-3,10H,4-9H2
3. InChIKey: LEOMYSVONJGULL-UHFFFAOYAP
4. Std. InChI: InChI=1S/C13H16ClF3N2/c14-4-5-18-6-8-19(9-7-18)12-3-1-2-11(10-12)13(15,16)17/h1-3,10H,4-9H2
5. Std. InChIKey: LEOMYSVONJGULL-UHFFFAOYSA-N

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