1-(3-Phenylpropyl)piperazine

Base Information

• Chemical Name: 1-(3-Phenylpropyl)piperazine
• CAS No.: 55455-92-0
• Molecular Formula: C13H20N2
• Molecular Weight: 204.315
• Hs Code.: 2933599090
• European Community (EC) Number: 639-327-4
• DSSTox Substance ID: DTXSID60970795
• Pharos Ligand ID: KUX52BT5WCP2
• ChEMBL ID: CHEMBL143750
• Mol file: 55455-92-0.mol

Synonyms:1-(3-phenylpropyl)piperazine;55455-92-0;1-(3-Phenyl-propyl)-piperazine;1-(3-phenylpropyl)-piperazine;Piperazine,1-(3-phenylpropyl)-, hydrochloride (1:1);CHEMBL143750;1-(3-Phenypropyl)piperazine;(3-phenylpropyl)piperazine;BAS 04443811;(3-phenylpropyl) piperazine;1-(3phenylpropyl)piperazine;TimTec1_007001;Oprea1_121298;Oprea1_779881;SCHEMBL457139;1-(3-phenyl-propyl)piperazine;DTXSID60970795;LOJCUYCKDGYLJH-UHFFFAOYSA-N;HMS1553O05;BDBM50054739;MFCD01075188;STK500852;AKOS000125338;WAY-313390;TS-00361;1-(3-Phenylpropyl)piperazine, AldrichCPR;BB 0216508;FT-0740350;EN300-932422;A830655

Chemical Property of 1-(3-Phenylpropyl)piperazine

Chemical Property:

• Boiling Point: 327.3 °C at 760 mmHg
• PKA: 9.24±0.10(Predicted)
• Flash Point: 137.1 °C
• PSA: 15.27000
• Density: 0.98 g/cm³
• LogP: 1.79110
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 204.162648646
• Heavy Atom Count: 15
• Complexity: 158

Purity/Quality:

98%Min ^*data from raw suppliers

1-(3-Phenylpropyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 36/37/38-25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)CCCC2=CC=CC=C2

Technology Process of 1-(3-Phenylpropyl)piperazine

There total 16 articles about 1-(3-Phenylpropyl)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: 91.0%

tert-butyl 4-(3-phenylpropyl)piperazine-1-carboxylate → 1-(3-phenylpropyl)piperazine (55455-92-0)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 24h;

DOI:10.1016/j.bmc.2017.02.051

Reference yield: 82.0%

O-(2-nitrobenzenesulfonyl)-3-phenylpropanol → 1-(3-phenylpropyl)piperazine (55455-92-0) + 1-((2-nitrophenyl)sulfonyl)piperazine (301331-16-8)

Guidance literature:

O-(2-nitrobenzenesulfonyl)-3-phenylpropanol; piperazine bound to trityl resin; With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dichloromethane; at 50 ℃;

With trifluoroacetic acid; In dichloromethane;

DOI:10.1021/ol035610t

Reference yield: 69.0%

trans-1-cinnamylpiperazine (18903-01-0,114312-65-1,87179-40-6) → 1-(3-phenylpropyl)piperazine (55455-92-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃; for 0.5h; under 3102.89 Torr;

DOI:10.1071/CH03030

upstream raw materials:

1-Bromo-3-phenylpropane

piperazine hydrochloride

1-(3-phenylpropionyl)piperazine

4-(3-phenyl-propyl)-piperazine-1-carboxylic acid ethyl ester

Downstream raw materials:

1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piperazine

2-Amino-1-[4-(3-phenyl-propyl)-piperazin-1-yl]-ethanone

benzyl ester of {2-oxo-2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl}carbamic acid

1-<2-(tert-butoxycarbonylamino)-3-methylsulfinylpropanoyl>-4-(3-phenylpropyl)piperazine

Refernces

• 1、 Liu, Hangyu,Mei, Qingqing,Xu, Qingling,Song, Jinliang,Liu, Huizhen,Han, Buxing. "Synthesis of formamides containing unsaturated groups by: N -formylation of amines using CO2 with H2". . p. 196 - 201. Retrieved 2017/08/15.
• 2、 Li, Yan,Wang, Xia,Zhang, Jinming,Deuther-Conrad, Winnie,Xie, Fang,Zhang, Xiaojun,Liu, Jian,Qiao, Jinping,Cui, Mengchao,Steinbach, J?rg,Brust, Peter,Liu, Boli,Jia, Hongmei. "Synthesis and evaluation of novel 18F-labeled spirocyclic piperidine derivatives as σ1 receptor ligands for positron emission tomography imaging". supporting information. p. 3478 - 3491. Retrieved 2013/06/27.