1-Butylpiperidine

Base Information

• Chemical Name: 1-Butylpiperidine
• CAS No.: 4945-48-6
• Molecular Formula: C9H19 N
• Molecular Weight: 141.257
• European Community (EC) Number: 225-588-8
• NSC Number: 86460
• DSSTox Substance ID: DTXSID10197793
• Nikkaji Number: J28.097F
• Mol file: 4945-48-6.mol

Synonyms:1-Butylpiperidine;1-BUTYL-PIPERIDINE;4945-48-6;Butylpiperidine;N-Butylpiperidine;Piperidine, 1-butyl-;EINECS 225-588-8;NSC86460;NCIOpen2_000983;SCHEMBL60452;DTXSID10197793;NSC 86460;NSC-86460;AKOS006241948

Chemical Property of 1-Butylpiperidine

Chemical Property:

• Vapor Pressure: 1.13mmHg at 25°C
• Refractive Index: 1.4467
• Boiling Point: 175.8°Cat760mmHg
• PKA: pK1: 10.43(+1) (25°C,μ=0.02)
• Flash Point: 59.8°C
• PSA: 3.24000
• Density: 0.84g/cm³
• LogP: 2.21030
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 141.151749610
• Heavy Atom Count: 10
• Complexity: 74.8

Purity/Quality:

99% ^*data from raw suppliers

1-BUTYL-PIPERIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1CCCCC1

Technology Process of 1-Butylpiperidine

There total 40 articles about 1-Butylpiperidine 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: 98.0%

piperidine (110-89-4) + N-n-butyl-N-methylamine (110-68-9) → 1-butyl-piperidine (4945-48-6) + methylamine (74-89-5)

Guidance literature:

palladium; at 160 ℃; for 5h;

DOI:10.1021/ja00353a025

Reference yield: 92.0%

piperidine (110-89-4) + butyraldehyde (123-72-8) → 1-butyl-piperidine (4945-48-6)

Guidance literature:

With polymethylhydrosiloxane; bis(1,5-cyclooctadiene)diiridium(I) dichloride; In tetrahydrofuran; at 50 ℃; for 5h;

DOI:10.1021/jo0481708

Reference yield: 80.0%

piperidine (110-89-4) + 1-bromo-butane (109-65-9) → 1-butyl-piperidine (4945-48-6)

Guidance literature:

With sodium hydroxide; N-benzyl-trimethylammonium hydroxide; In benzene; Heating;

DOI:10.1016/S0040-4020(01)82012-3

upstream raw materials:

piperidine

1-bromo-butane

butyl nitrate

butyraldehyde

Downstream raw materials:

1-butyl-1-(4-phenylazo-benzyl)-piperidinium; bromide

1-n-butyl-1-methylpiperidin-1-ium bromide

1-bromo-butane

(5-bromo-pentyl)-butyl-carbamonitrile

Refernces

• 1、 -. "Method for catalytically synthesizing 1-substituted pyrrolidine/piperidine derivative by using supported metal". Paragraph 0022. . Retrieved 2020/02/20.
• 2、 Neale, Alex R.,Murphy, Sinead,Goodrich, Peter,Hardacre, Christopher,Jacquemin, Johan. "Thermophysical and Electrochemical Properties of Ethereal Functionalised Cyclic Alkylammonium-based Ionic Liquids as Potential Electrolytes for Electrochemical Applications". . p. 2040 - 2057. Retrieved 2017/08/10.