1-Hexylpyrrolidine

Base Information

• Chemical Name: 1-Hexylpyrrolidine
• CAS No.: 123-13-7
• Molecular Formula: C10H21 N
• Molecular Weight: 155.283
• Hs Code.: 2933990090
• European Community (EC) Number: 204-604-7
• UNII: 1OX9CX56XC
• DSSTox Substance ID: DTXSID60153824
• Nikkaji Number: J297.782F
• Wikidata: Q83020844
• Mol file: 123-13-7.mol

Synonyms:1-Hexylpyrrolidine;123-13-7;1OX9CX56XC;EINECS 204-604-7;Pyrrolidine, 1-hexyl-;hexylpyrrolidine;N-HEXYLPYRROLIDINE;UNII-1OX9CX56XC;SCHEMBL1261593;SCHEMBL10519078;DTXSID60153824

Chemical Property of 1-Hexylpyrrolidine

Chemical Property:

• Vapor Pressure: 0.413mmHg at 25°C
• Boiling Point: 195.7°Cat760mmHg
• Flash Point: 76.8°C
• PSA: 3.24000
• Density: 0.846g/cm³
• LogP: 2.60040
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 155.167399674
• Heavy Atom Count: 11
• Complexity: 84.9

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCN1CCCC1

Technology Process of 1-Hexylpyrrolidine

There total 13 articles about 1-Hexylpyrrolidine 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: 88.0%

1-(pyrrolidin-1-yl)hexan-1-one (3389-56-8) → N-(1-hexyl) pyrrolidine (123-13-7)

Guidance literature:

With diisobutylaluminum borohydride; In tetrahydrofuran; at 0 - 25 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2017.09.030

Reference yield: 79.0%

pyrrolidine (123-75-1) + hexan-1-ol (111-27-3) → N-(1-hexyl) pyrrolidine (123-13-7)

Guidance literature:

With dichloro-[1-(2-(2-ethoxyphenoxy)ethyl)-3-(3-methoxylbenzyl)benz-imidazol-2-ylidene](p-cymene)ruthenium (II); In neat (no solvent); at 120 ℃; for 16h; Reagent/catalyst; Catalytic behavior;

DOI:10.1016/j.ica.2019.119163

Reference yield: 69.0%

pyrrolidine (123-75-1) + 1-bromo-hexane (111-25-1) → N-(1-hexyl) pyrrolidine (123-13-7)

Guidance literature:

With sodium hydroxide; In water; N,N-dimethyl-formamide; at 25 ℃;

DOI:10.1002/ejic.200800448

upstream raw materials:

1-hexyl-2,5-pyrrolidinedione

Butane-1,4-diol

hexan-1-amine

4-Aminobutanol

Downstream raw materials:

1-hexylpyrrolidinium 4,4,4-trifluoro-1-phenyl-1,3-butanedionate