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| CAS No.: | 3074-46-2 |
|---|---|
| Name: | 1-BENZYL-4-PHENYLPIPERAZINE |
| Molecular Structure: | |
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| Formula: | C17H20N2 |
| Molecular Weight: | 252.359 |
| Synonyms: | Piperazine,1-benzyl-4-phenyl- (7CI,8CI); |
| Density: | 1.092 g/cm3 |
| Melting Point: | 42 °C |
| Boiling Point: | 376.1 °C at 760 mmHg |
| Flash Point: | 167.1 °C |
| PSA: | 6.48000 |
| LogP: | 3.01170 |
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| Conditions | Yield |
|---|---|
| With caesium carbonate; sodium iodide In dichloromethane at 80℃; for 1h; | 98% |
| Conditions | Yield |
|---|---|
| Stage #1: 4-phenyl-1-piperazine; benzaldehyde for 0.0666667h; Microwave irradiation; Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.5h; | 98% |
| With sodium cyanoborohydride; acetic acid In methanol; 1,2-dichloro-ethane at 65℃; for 0.166667h; Flow reactor; |
| Conditions | Yield |
|---|---|
| With caesium carbonate; sodium iodide In tetrahydrofuran at 80℃; for 12h; Inert atmosphere; Sealed tube; | 95% |
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 40℃; | 94% |
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide | 89% |
| With sodium carbonate In acetonitrile at 20℃; | 84% |
| With aluminum oxide; potassium carbonate for 0.0833333h; Solid phase reaction; alkylation; microwave irradiation; | 74% |
- 50-00-0
formaldehyd
- 108-86-1
bromobenzene
- 92-54-6
4-phenyl-1-piperazine
- 3074-46-2
N-benzyl,N'-phenylpiperazine
| Conditions | Yield |
|---|---|
| With cobalt(II) bromide; zinc In acetonitrile at 60℃; for 1.5h; Mannich type reaction; Inert atmosphere; | 89% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In butanone at 80℃; for 24h; | 82% |
| With toluene |
| Conditions | Yield |
|---|---|
| With iron(III)phthalocyanine chloride; potassium tert-butylate In neat (no solvent) at 170℃; for 24h; Inert atmosphere; Microwave irradiation; | 82% |
- Total:30 Page 1 of 1 1
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Specification
The 1-Benzyl-4-phenylpiperazine, with the CAS registry number 3074-46-2, is also known as Piperazine, 1-phenyl-4-(phenylmethyl)-. It belongs to the product categories of Piperaizine; Piperazines. This chemical's molecular formula is C17H20N2 and molecular weight is 252.3541. Its IUPAC name is called 1-benzyl-4-phenylpiperazine.
Physical properties of 1-Benzyl-4-phenylpiperazine: (1)ACD/LogP: 3.30; (2)ACD/LogD (pH 5.5): 2.44; (3)ACD/LogD (pH 7.4): 3.27; (4)ACD/BCF (pH 5.5): 26.16; (5)ACD/BCF (pH 7.4): 175.93; (6)ACD/KOC (pH 5.5): 204.99; (7)ACD/KOC (pH 7.4): 1378.36; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.601; (11)Molar Refractivity: 79.19 cm3; (12)Molar Volume: 231 cm3; (13)Surface Tension: 45.7 dyne/cm; (14)Density: 1.092 g/cm3; (15)Flash Point: 167.1 °C; (16)Enthalpy of Vaporization: 62.38 kJ/mol; (17)Boiling Point: 376.1 °C at 760 mmHg; (18)Vapour Pressure: 7.4E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCN1CC2=CC=CC=C2)C3=CC=CC=C3
(2)InChI: InChI=1S/C17H20N2/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17/h1-10H,11-15H2
(3)InChIKey: VEJWDLHOLWGRLH-UHFFFAOYSA-N