2-(3-Pentyl)pyridine

Base Information

• Chemical Name: 2-(3-Pentyl)pyridine
• CAS No.: 7399-50-0
• Molecular Formula: C10H15 N
• Molecular Weight: 149.236
• Hs Code.: 2933399090
• European Community (EC) Number: 230-998-5
• NSC Number: 54364
• UNII: 6YF99WM20L
• DSSTox Substance ID: DTXSID4052477
• Nikkaji Number: J150.341C
• Wikidata: Q27265723
• Mol file: 7399-50-0.mol

Synonyms:2-(3-Pentyl)pyridine;7399-50-0;3-(2-Pyridyl)pentane;2-(1-Ethylpropyl)pyridine;Pyridine, 2-(1-ethylpropyl)-;2-pentan-3-ylpyridine;2-(1-Ethyl-propyl)-pyridine;2-(pentan-3-yl)pyridine;UNII-6YF99WM20L;6YF99WM20L;EINECS 230-998-5;NSC 54364;NSC-54364;pentylpyridine;NSC54364;SCHEMBL65284;2-(1-Ethylpropyl)-pyridine;DTXSID4052477;2 - (1 - ethylpropyl)pyridine;MFCD00014631;AKOS006229563;BS-18034;CS-0152605;FT-0608368;P0969;D83598;Q27265723

Chemical Property of 2-(3-Pentyl)pyridine

Chemical Property:

• Vapor Pressure: 0.589mmHg at 25°C
• Melting Point: 125.5°C (estimate)
• Refractive Index: 1.4860 to 1.4880
• Boiling Point: 195.4°Cat760mmHg
• PKA: 5.65±0.19(Predicted)
• Flash Point: 51.3°C
• PSA: 12.89000
• Density: 0.9g/cm³
• LogP: 2.98520
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 149.120449483
• Heavy Atom Count: 11
• Complexity: 97

Purity/Quality:

98% ^*data from raw suppliers

2-(3-Pentyl)pyridine >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)C1=CC=CC=N1

Technology Process of 2-(3-Pentyl)pyridine

There total 12 articles about 2-(3-Pentyl)pyridine 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%

pyridin-2-yl trifluoromethanesulfonate (65007-00-3) + 3-bromopentane (1809-10-5) → 2-(1-ethylpropyl)-pyridine (7399-50-0) + 2-pentylpyridine (2294-76-0)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 2-(dibutylphosphanyl)-1-phenylpyrrole; magnesium; lithium chloride; zinc(II) chloride; In tetrahydrofuran; at 60 ℃; for 16h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1002/anie.201608535

Reference yield: 70.0%

Trimethylboroxine (823-96-1) + 2-sec-butylpyridine (6304-23-0,1228632-22-1) → 2-(1-ethylpropyl)-pyridine (7399-50-0)

Guidance literature:

With copper diacetate; oxygen; p-benzoquinone; palladium diacetate; In acetic acid; at 100 ℃; for 24h; under 760.051 Torr;

DOI:10.1021/ja0646747

Reference yield: 50.0%

2-isopropylpyridine (644-98-4) + Trimethylboroxine (823-96-1) → 2-(1-ethylpropyl)-pyridine (7399-50-0) + 2-sec-butylpyridine (6304-23-0,1228632-22-1)

Guidance literature:

With copper diacetate; oxygen; p-benzoquinone; palladium diacetate; In acetic acid; at 100 ℃; for 24h; under 760.051 Torr;

DOI:10.1021/ja0646747

upstream raw materials:

α-picoline

ethene

2-propylpyridine

2-isopropylpyridine

Downstream raw materials:

2-(1-ethylpropyl)piperidine

2-(3,5-dimethylphenyl)-6-(1-ethylpropyl)-pyridine

Refernces

• 1、 Dupuy, Stéphanie,Zhang, Ke-Feng,Goutierre, Anne-Sophie,Baudoin, Olivier. "Terminal-Selective Functionalization of Alkyl Chains by Regioconvergent Cross-Coupling". supporting information. p. 14793 - 14797. Retrieved 2016/11/23.
• 2、 Chen, Xiao,Goodhue, Charles E.,Yu, Jin-Quan. "Palladium-catalyzed alkylation of sp2 and sp3 C-H bonds with methylboroxine and alkylboronic acids: Two distinct C-H activation pathways". . p. 12634 - 12635. Retrieved 2008/02/05.