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27469-61-0

Basic Information
CAS No.: 27469-61-0
Name: 1-(4,4'-DICHLOROBENZHYDRYL)PIPERAZINE
Article Data: 12
Molecular Structure:
Molecular Structure of 27469-61-0 (1-(4,4'-DICHLOROBENZHYDRYL)PIPERAZINE)
Formula: C17H18Cl2N2
Molecular Weight: 321.249
Synonyms: Piperazine,1-[bis(p-chlorophenyl)methyl]- (6CI,8CI);1-[Bis(4-chlorophenyl)methyl]piperazine;4-[Bis(4-chlorophenyl)methyl]piperazine;NCI 142496;NSC 142496;
Density: 1.237 g/cm3
Melting Point: 107 °C
Boiling Point: 425.4 °C at 760 mmHg
Flash Point: 211.1 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 15.27000
LogP: 4.25470
Synthetic route
154544-61-3

ethyl <4-(bis (4-chlorophenyl) methyl)-1-piperazinyl> carboxylate

27469-61-0

1-(4,4'-dichloro-benzhydryl)-piperazine

Conditions
ConditionsYield
With sodium hydroxide In methanol for 72h; Heating;96%
119-56-2

(4-chlorophenyl)phenylmethanol

27469-61-0

1-(4,4'-dichloro-benzhydryl)-piperazine

Conditions
ConditionsYield
In dichloromethane88.4%
In dichloromethane88.4%
In dichloromethane88.4%
In dichloromethane88.4%
In dichloromethane88.4%
110-85-0

piperazine

782-08-1

chlorobis(4-chlorophenyl)methane

27469-61-0

1-(4,4'-dichloro-benzhydryl)-piperazine

Conditions
ConditionsYield
In acetonitrile at 90℃; for 16h;74%
In acetonitrile Reflux;68%
In acetonitrile for 2h; Heating;60%
90-97-1

4,4'-dichlorobenzophenone

27469-61-0

1-(4,4'-dichloro-benzhydryl)-piperazine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 98 percent / SOCl2 / cyclohexane / 24 h / Heating
2: 19 percent / K2CO3 / tetrahydrofuran / 14 h / Heating
3: 96 percent / 10percent aq. NaOH / methanol / 72 h / Heating
View Scheme
Multi-step reaction with 2 steps
1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
2: acetonitrile / Reflux
View Scheme
782-08-1

chlorobis(4-chlorophenyl)methane

27469-61-0

1-(4,4'-dichloro-benzhydryl)-piperazine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 19 percent / K2CO3 / tetrahydrofuran / 14 h / Heating
2: 96 percent / 10percent aq. NaOH / methanol / 72 h / Heating
View Scheme
90-98-2

4,4'-Dichlorobenzophenone

27469-61-0

1-(4,4'-dichloro-benzhydryl)-piperazine

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: NaBH4 / methanol
2: 98 percent / SOCl2 / cyclohexane / 24 h / Heating
3: 19 percent / K2CO3 / tetrahydrofuran / 14 h / Heating
4: 96 percent / 10percent aq. NaOH / methanol / 72 h / Heating
View Scheme
Multi-step reaction with 3 steps
1: sodium tetrahydroborate / tetrahydrofuran; methanol / 0.5 h / 0 °C
2: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
3: acetonitrile / Reflux
View Scheme
2942-59-8

2-chloronicotinic acid

27469-61-0

1-(4,4'-dichloro-benzhydryl)-piperazine

(4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)(2-chloropyridin-3-yl)methanone

Conditions
ConditionsYield
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;99%
6313-54-8

2-chloroisonicotinic acid,

27469-61-0

1-(4,4'-dichloro-benzhydryl)-piperazine

(4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)(2-chloropyridin-4-yl)methanone

Conditions
ConditionsYield
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;98%
213774-42-6

N-(2-Hydroxyethyl)-5-chloropentanesulfonamide

7285-11-2

chloroform methanol

27469-61-0

1-(4,4'-dichloro-benzhydryl)-piperazine

N-(2-hydroxyethyl)-5-[4-[bis(4-chlorophenyl)methyl]-1-piperazinyl]pentanesulfonamide

Conditions
ConditionsYield
In water; N-ethyl-N,N-diisopropylamine97.5%
27469-61-0

1-(4,4'-dichloro-benzhydryl)-piperazine

116465-48-6

2,5‐difluoro‐4‐nitrobenzoic acid

(4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)(2,5-difluoro-4-nitrophenyl)methanone

Conditions
ConditionsYield
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;96%
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    Piperazine,1-[bis(4-chlorophenyl)methyl]- 1-[bis(4-chlorophenyl)methyl]piperazine CAS No.: 27469-61-0 Synonyms: 1-(4,4'-Dichlorobenzhydryl)piperazine; 4,4'-Dichlorobenzhydrylpiperazine; 4-(bis(4-chlorophenyl)methyl)piperazine; 1-<

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Specification

The Piperazine,1-[bis(4-chlorophenyl)methyl]-, with the CAS registry number 27469-61-0, is also known as 4-[Bis(4-chlorophenyl)methyl]piperazine. This chemical's molecular formula is C17H18Cl2N2 and molecular weight is 321.24. What's more, its systematic name is 1-[bis(4-chlorophenyl)methyl]piperazine. 

Physical properties of Piperazine,1-[bis(4-chlorophenyl)methyl]- are: (1)ACD/LogP: 4.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 88.71 cm3; (9)Molar Volume: 259.5 cm3; (10)Surface Tension: 45.7 dyne/cm; (11)Density: 1.237 g/cm3; (12)Flash Point: 211.1 °C; (13)Enthalpy of Vaporization: 68.01 kJ/mol; (14)Boiling Point: 425.4 °C at 760 mmHg; (15)Vapour Pressure: 1.91E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 4,4'-dichloro-benzhydryl chloride, piperazine by heating. This reaction will need solvent acetonitrile with the reaction time of 2 hours. The yield is about 60%.

Uses of Piperazine,1-[bis(4-chlorophenyl)methyl]-: it can be used to produce 1-[bis-(4-chloro-phenyl)-methyl]-4-(3-thiophen-2-yl-prop-2-ynyl)-piperazine by heating. It will need solvent tetrahydrofuran with the reaction time of 345 min. This reaction will also need catalyst anhydrous CuSO4. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(c2ccc(Cl)cc2)N3CCNCC3
(2)InChI: InChI=1S/C17H18Cl2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2
(3)InChIKey: PTLFMGDNZYQISN-UHFFFAOYSA-N