1-Heptylpiperazine

Base Information

• Chemical Name: 1-Heptylpiperazine
• CAS No.: 82502-77-0
• Molecular Formula: C11H24N2
• Molecular Weight: 184.325
• Hs Code.: 2933599090
• European Community (EC) Number: 671-067-7
• DSSTox Substance ID: DTXSID50371414
• Wikidata: Q82158735
• Mol file: 82502-77-0.mol

Synonyms:1-Heptylpiperazine;82502-77-0;1-N-Heptylpiperazine;1-(1-heptyl)-piperazine;MFCD01075184;n-heptylpiperazine;1-hept-1-ylpiperazine;4-heptylpiperazine;SCHEMBL2762041;DTXSID50371414;GFFSNSPNXPELQE-UHFFFAOYSA-N;1-(N-heptyl)piperazine, AldrichCPR;AKOS009158649;PS-5836;FT-0641871;A840360

Chemical Property of 1-Heptylpiperazine

Chemical Property:

• Vapor Pressure: 0.0172mmHg at 25°C
• Refractive Index: 1.453
• Boiling Point: 254.4 °C at 760 mmHg
• PKA: 9.28±0.10(Predicted)
• Flash Point: 83.3 °C
• PSA: 15.27000
• Density: 0.862 g/cm³
• LogP: 2.12870
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 184.193948774
• Heavy Atom Count: 13
• Complexity: 109

Purity/Quality:

98%min ^*data from raw suppliers

1-(Hept-1-yl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-41
• Safety Statements: 26-36/37/39-39

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCN1CCNCC1

Technology Process of 1-Heptylpiperazine

There total 2 articles about 1-Heptylpiperazine 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:

1-Iodoheptane (4282-40-0) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 1-heptylpiperazine (82502-77-0)

Guidance literature:

1-Iodoheptane; 1-t-Butoxycarbonylpiperazine; With potassium carbonate; In DMF (N,N-dimethyl-formamide); for 2h;

With trifluoroacetic acid; In dichloromethane; for 2h;

Reference yield:

piperazine (110-85-0) + 1-Iodoheptane (4282-40-0) → 1-heptylpiperazine (82502-77-0)

Guidance literature:

In methanol; at 20 ℃; for 1h;

DOI:10.1016/S0040-4020(01)00403-3

Reference yield: 64.0%

4-fluorobenzaldehyde (459-57-4) + 1-heptylpiperazine (82502-77-0) → N'-(4-formylphenyl)-N-heptylpiperazine (353247-84-4)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; for 0.25h; ultrasound;

DOI:10.1016/S0040-4020(01)00403-3

upstream raw materials:

piperazine

1-Iodoheptane

1-t-Butoxycarbonylpiperazine

Downstream raw materials:

N'-(4-formylphenyl)-N-heptylpiperazine

Refernces

• 1、 Magdolen, Peter,Me?iarová, Mária,Toma, ?tefan. "Ultrasound effect on the synthesis of 4-alkyl-(aryl)aminobenzaldehydes". . p. 4781 - 4785. Retrieved 2007/10/03.