1-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazine

Base Information

• Chemical Name: 1-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazine
• CAS No.: 57536-84-2
• Molecular Formula: C14H20N2
• Molecular Weight: 216.322
• NSC Number: 159976
• DSSTox Substance ID: DTXSID70973070
• Nikkaji Number: J77.319K
• Wikidata: Q82956919
• ChEMBL ID: CHEMBL301644

Synonyms:1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine;57536-84-2;BRN 0518635;CHEMBL301644;1-(5,6,7,8-Tetrahydro-1-naphthyl)piperazine;Piperazine, 1-(5,6,7,8-tetrahydro-1-naphthyl)-;5-23-01-00221 (Beilstein Handbook Reference);1-(5,6,7,8-Tetrahydro-naphthalen-1-yl)-piperazine;NSC159976;1-(5-tetralinyl)piperazine;SCHEMBL2348878;c1(cccc2c1CCCC2)N3CCNCC3;DTXSID70973070;BDBM50035055;NSC 159976;NSC-159976;LS-113479;FT-0745361;EN300-1865762;1-(5,6,7,8-Tetrahydro-1-naphthalenyl)piperazine

Chemical Property of 1-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazine

Chemical Property:

• Vapor Pressure: 1.69E-06mmHg at 25°C
• Boiling Point: 396.6°C at 760 mmHg
• Flash Point: 185.7°C
• Density: 1.057g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 216.162648646
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C=CC=C2N3CCNCC3

Technology Process of 1-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazine

There total 4 articles about 1-(5,6,7,8-Tetrahydronaphthalen-1-yl)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: 50.0%

bis-(2-chloroethyl)amine hydrochloride (821-48-7) + 1-amino-5,6,7,8-tetrahydronaphthalene (2217-41-6) → 1-(5-tetralinyl)piperazine (57536-84-2)

Guidance literature:

With sodium carbonate; In butan-1-ol; for 68h; Heating/reflux;

Reference yield:

1-amino-5,6,7,8-tetrahydronaphthalene (2217-41-6) → 1-(5-tetralinyl)piperazine (57536-84-2)

Guidance literature:

With toluene-4-sulfonic acid; In chlorobenzene;

DOI:10.1021/jm00011a014

Reference yield:

5-nitro-1,2,3,4-tetrahydronaphthalene (29809-14-1) → 1-(5-tetralinyl)piperazine (57536-84-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Fe, aq. HCl / ethanol

2: p-TsOH / chlorobenzene

With hydrogenchloride; iron; toluene-4-sulfonic acid; In ethanol; chlorobenzene;

DOI:10.1021/jm00011a014

upstream raw materials:

1-amino-5,6,7,8-tetrahydronaphthalene

5-nitro-1,2,3,4-tetrahydronaphthalene

bis-(2-chloroethyl)amine hydrochloride

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