1-Hexylpiperazine

Base Information

• Chemical Name: 1-Hexylpiperazine
• CAS No.: 51619-55-7
• Molecular Formula: C10H22N2
• Molecular Weight: 170.298
• Hs Code.: 2933599090
• European Community (EC) Number: 625-675-4
• DSSTox Substance ID: DTXSID10371415
• Nikkaji Number: J1.371.723K
• Wikidata: Q82158738
• Mol file: 51619-55-7.mol

Synonyms:1-Hexylpiperazine;51619-55-7;1-(1-Hexyl)-piperazine;1-(1-hexyl)piperazine;1-n-hexylpiperazine;MFCD01075185;1-hexyl-piperazine;n-hexyl piperazine;1-n-hexyl-piperazine;1-(Hex-1-yl)piperazine;SCHEMBL2581399;DTXSID10371415;WRFUXAYDZDQDKY-UHFFFAOYSA-N;STK503636;AKOS005171613;1-Hexylpiperazine, >=98.0% (GC);PS-5063;FT-0640009;EN300-1827719;A828688

Chemical Property of 1-Hexylpiperazine

Chemical Property:

• Vapor Pressure: 0.0412mmHg at 25°C
• Refractive Index: n20/D 1.466
• Boiling Point: 239 °C at 760 mmHg
• PKA: 9.32±0.10(Predicted)
• Flash Point: 81.4 °C
• PSA: 15.27000
• Density: 0.863 g/cm³
• LogP: 1.73860
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 170.178298710
• Heavy Atom Count: 12
• Complexity: 98

Purity/Quality:

99% ^*data from raw suppliers

1-Hexylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCN1CCNCC1

Technology Process of 1-Hexylpiperazine

There total 2 articles about 1-Hexylpiperazine 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: 60.1%

piperazine (110-85-0) + 1-bromo-hexane (111-25-1) → 1-n-hexyl piperazine (51619-55-7)

Guidance literature:

In ethanol; at 80 ℃; for 8h;

DOI:10.1021/acsmedchemlett.7b00452

Reference yield:

piperidine (110-89-4) + 1-penten (109-67-1) + carbon monoxide (201230-82-2) → 1-(2-methylpentyl)piperidine (57184-43-7) + 1-n-hexyl piperazine (51619-55-7)

Guidance literature:

With acetylacetonatodicarbonylrhodium(l); tris(2,4-di-tert-butylphenyl)phosphite; hydrogen; In tetrahydrofuran; at 90 ℃; for 18h; under 20685.9 Torr; Further Variations:; Reagents; Product distribution;

DOI:10.1021/ol050848y

Reference yield: 89.0%

carbon disulfide (75-15-0,12122-00-8) + 4-bromo-2,2-diphenylbutyronitrile (39186-58-8) + 1-n-hexyl piperazine (51619-55-7) → 4-hexyl-piperazine-1-carbodithioic acid 3-cyano-3,3-diphenyl-propyl ester

Guidance literature:

carbon disulfide; 1-n-hexyl piperazine; With potassium phosphate; In acetone; at 20 ℃; for 0.5h;

4-bromo-2,2-diphenylbutyronitrile; In acetone; at 20 ℃;

DOI:10.1016/j.bmcl.2006.05.085

upstream raw materials:

piperidine

1-penten

carbon monoxide

piperazine

Downstream raw materials:

Acetic acid 4-(4-hexyl-piperazine-1-carbonyl)-phenyl ester

(4-Hexyl-piperazin-1-yl)-(4-hydroxy-phenyl)-methanone

C₂₃H₃₆N₆O₂S

N'-(4-formylphenyl)-N-hexylpiperazine

Refernces

• 1、 Briggs, John R.,Klosin, Jerzy,Whiteker, Gregory T.. "Synthesis of biologically active amines via rhodium-bisphosphite-catalyzed hydroaminomethylation". . p. 4795 - 4798. Retrieved 2007/10/03.