1-(1-Phenylethyl)piperazine

Base Information

• Chemical Name: 1-(1-Phenylethyl)piperazine
• CAS No.: 69628-75-7
• Molecular Formula: C12H18N2
• Molecular Weight: 190.288
• Hs Code.: 29335990
• European Community (EC) Number: 274-057-7
• DSSTox Substance ID: DTXSID50989730
• Nikkaji Number: J318.012C
• Mol file: 69628-75-7.mol

Synonyms:1-(1-Phenylethyl)piperazine;69628-75-7;436099-96-6;1-(1-Phenylethyl)-piperazine;Piperazine, 1-(1-phenylethyl)-;EINECS 274-057-7;1-[(1R)-Phenylethyl]piperazine;1-[(1S)-Phenylethyl]piperazine;773848-51-4;759457-60-8;1-(1-Phenyl-ethyl)-piperazine;[1-(Piperazin-1-yl)ethyl]benzene;4-Hexanoxylresorcinol;Piperazine,1-(1-phenylethyl)-, hydrochloride (1:1);1-(1-phenylethyl)piperizine;SCHEMBL42790;1-(1-phenylethyl) piperizine;DTXSID50989730;PYBNQKSXWAIBKN-UHFFFAOYSA-N;HMS1681K06;1-(alpha-methyl benzyl)-piperazine;MFCD00040738;AKOS000300793;AKOS016341369;1-(1-phenylethyl)piperazine, AldrichCPR;TS-02685;A9797;BB 0221280;CS-0275232;FT-0604321;FT-0604323;FT-0648584;FT-0706442;EN300-342306;A836571

Chemical Property of 1-(1-Phenylethyl)piperazine

Chemical Property:

• Vapor Pressure: 0.00451mmHg at 25°C
• Refractive Index: n20/D 1.5430(lit.)
• Boiling Point: 277.5 °C at 760 mmHg
• PKA: 9.11±0.10(Predicted)
• Flash Point: 109.1 °C
• PSA: 15.27000
• Density: 1.006 g/cm³
• LogP: 1.91950
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 190.146998583
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

98%min ^*data from raw suppliers

1-(1-Phenylethyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xn,Xi
• Hazard Codes: C,Xn,Xi
• Statements: 22-34-20/21/22
• Safety Statements: 26-36/37/39-45-24/25-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)N2CCNCC2

Technology Process of 1-(1-Phenylethyl)piperazine

There total 5 articles about 1-(1-Phenylethyl)piperazine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 67.0%

→ 1-phenylethyl piperazine (69628-75-7,759457-60-8)

Guidance literature:

Reference yield:

(1-bromoethyl)benzne (585-71-7,38661-81-3) → 1-phenylethyl piperazine (69628-75-7,759457-60-8)

Guidance literature:

Multi-step reaction with 2 steps

1: Na₂CO₃ / toluene / 24 h / 100 °C

2: conc. HCl / 3 h / Heating

With hydrogenchloride; sodium carbonate; In toluene;

DOI:10.1002/ardp.19883211007

Reference yield:

1-Phenylethanol (98-85-1,13323-81-4) → 1-phenylethyl piperazine (69628-75-7,759457-60-8)

Guidance literature:

Multi-step reaction with 2 steps

1: polymer supported perruthenate / toluene / 2 h / 80 °C

2: polymer supported cyanoborohydride / methanol; toluene / 72 h / Ambient temperature

With polymer supported cyanoborohydride; polymer supported perruthenate; In methanol; toluene;

upstream raw materials:

1-(α-Phenylethyl)-4-formylpiperazine

piperazine

acetophenone

1-Phenylethanol

Downstream raw materials:

acetophenone

2-chloro-N,N-dimethyl-5-(4-(4-(1-phenylethyl)-1-piperazinyl)-6-quinolinyl)-3-pyridinamine

C₂₆H₃₄N₄O₂

Refernces

• 1、 Ley, Steven V.,Bolli, Martin H.,Hinzen, Berthold,Gervois, Anne-Geraldine,Hall, Beverley J.. "Use of polymer supported reagents for clean multi-step organic synthesis: Preparation of amines and amine derivatives from alcohols for use in compound library generation". . p. 2239 - 2241. Retrieved 2007/10/03.
• 2、 -. "Antiatherosclerotic and antithrombotic 2-amino-6-phenyl-4H-pyran-4-ones". . . Retrieved 2008/06/13.