1-Phenethylpiperazine

Base Information

• Chemical Name: 1-Phenethylpiperazine
• CAS No.: 5321-49-3
• Molecular Formula: C12H18N2
• Molecular Weight: 190.288
• Hs Code.: 29335990
• European Community (EC) Number: 226-186-5
• DSSTox Substance ID: DTXSID00201292
• Nikkaji Number: J298.002I
• Wikidata: Q72501837
• Mol file: 5321-49-3.mol

Synonyms:1-(2-Phenylethyl)piperazine;1-Phenethylpiperazine;5321-49-3;1-(2-PHENYLETHYL)-PIPERAZINE;1-Phenethyl-piperazine;Piperazine, 1-(2-phenylethyl)-;1-(phenethyl)piperazine;EINECS 226-186-5;MFCD00040740;N-phenethylpiperazine;phenethylpiperazine;l-phenethylpiperazine;4-phenethylpiperazine;1-phenethyl piperazine;1-phenylethylpiperazine;4-Phenylethyl-piperazine;n-(2-phenylethyl)piperazine;4-(2-phenylethyl)piperazine;SCHEMBL41969;Piperazine,1-(1-phenylethyl)-;DTXSID00201292;1-(2-Phenylethyl)piperazine, 97%;STK501828;AKOS000264374;FS-1238;A9638;FT-0605563;EN300-24346;J-510232;F2169-0418;Z185588510

Chemical Property of 1-Phenethylpiperazine

Chemical Property:

• Vapor Pressure: 0.00462mmHg at 25°C
• Melting Point: 75-77°C
• Refractive Index: n20/D 1.5430(lit.)
• Boiling Point: 297.2 °C at 760 mmHg
• PKA: 9.20±0.10(Predicted)
• Flash Point: 124.6 °C
• PSA: 15.27000
• Density: 0.991 g/cm³
• LogP: 1.40100
• Sensitive.: Air Sensitive
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 190.146998583
• Heavy Atom Count: 14
• Complexity: 146

Purity/Quality:

98% ^*data from raw suppliers

1-(2-Phenylethyl)piperazine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(CCN1)CCC2=CC=CC=C2

Technology Process of 1-Phenethylpiperazine

There total 13 articles about 1-Phenethylpiperazine 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: 100.0%

1-(tert-butyloxycarbonyl)-4-(2-phenylethyl)-1,4-diazacyclohexane (138557-95-6) → 4-(phenethyl)piperazine (5321-49-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/ic501461n

Reference yield: 95.0%

N-benzyl-N'-(2-phenethyl)piperazine (56233-34-2) → 4-(phenethyl)piperazine (5321-49-3)

Guidance literature:

With hydrogen; triethylamine; palladium dihydroxide; In ethanol; at 40 ℃; for 7h; under 1500.15 - 3000.3 Torr;

DOI:10.1002/chem.200305327

Reference yield: 92.0%

1-phenyl-2-bromoethane (103-63-9) → 4-(phenethyl)piperazine (5321-49-3)

Guidance literature:

upstream raw materials:

piperazine hydrochloride

1-phenyl-2-bromoethane

piperazine

2-phenyl-1-(piperazin-1-yl)ethanone

Downstream raw materials:

N-(5H-Dibenzo[a,d]cyclohepten-5-yl)-4-(4-phenethyl-piperazin-1-yl)-butyramide

N-(4aS,5S,11aS)-1,2,3,4,4a,5,11,11a-Octahydro-10-thia-dibenzo[a,d]cyclohepten-5-yl-4-(4-phenethyl-piperazin-1-yl)-butyramide

7-Chloro-3-(4-phenethyl-piperazin-1-yl)-2H-benzo[1,2,4]thiadiazine 1,1-dioxide

2-chloro-1-(4-phenethylpiperazin-1-yl)ethan-1-one

Refernces

• 1、 Chen, Lingfeng,Chen, Hongjin,Chen, Pengqin,Zhang, Wenxin,Wu, Chao,Sun, Chuchu,Luo, Wu,Zheng, Lulu,Liu, Zhiguo,Liang, Guang. "Development of 2-amino-4-phenylthiazole analogues to disrupt myeloid differentiation factor 88 and prevent inflammatory responses in acute lung injury". . p. 22 - 38. Retrieved 2018/10/23.
• 2、 Hankosky, Emily R.,Joolakanti, Shyam R.,Nickell, Justin R.,Janganati, Venumadhav,Dwoskin, Linda P.,Crooks, Peter A.. "Fluoroethoxy-1,4-diphenethylpiperidine and piperazine derivatives: Potent and selective inhibitors of [3H]dopamine uptake at the vesicular monoamine transporter-2". . p. 5467 - 5472. Retrieved 2017/11/21.