Pentyl 2-pyridyl ketone

Base Information

• Chemical Name: Pentyl 2-pyridyl ketone
• CAS No.: 42203-03-2
• Molecular Formula: C11H15NO
• Molecular Weight: 177.2429
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00339463
• Nikkaji Number: J113.629A
• Wikidata: Q72504703
• Mol file: 42203-03-2.mol

Synonyms:Pentyl 2-pyridyl ketone;42203-03-2;1-(Pyridin-2-yl)hexan-1-one;2-HEXANOYLPYRIDINE;1-pyridin-2-ylhexan-1-one;1-Hexanone, 1-(2-pyridinyl)-;MFCD06637967;1-(2-Pyridinyl)-1-hexanone;SCHEMBL1255019;DTXSID00339463;1-(2-Pyridinyl)-1-hexanone #;AKOS011914487;SB54278

Chemical Property of Pentyl 2-pyridyl ketone

Chemical Property:

• Vapor Pressure: 0.0086mmHg at 25°C
• Refractive Index: 1.498
• Boiling Point: 266.5 °C at 760 mmHg
• Flash Point: 122.1 °C
• PSA: 29.96000
• Density: 0.983 g/cm³
• LogP: 2.84460
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

2-Hexanoylpyridine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)C1=CC=CC=N1

Technology Process of Pentyl 2-pyridyl ketone

There total 7 articles about Pentyl 2-pyridyl ketone 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: 87.0%

2-Cyanopyridine (100-70-9,1232006-36-8) + n-pentylmagnesium bromide (693-25-4) → 1-(pyridin-2-yl)hexan-1-one (42203-03-2)

Guidance literature:

2-Cyanopyridine; n-pentylmagnesium bromide; In tetrahydrofuran; diethyl ether; at -15 - 20 ℃; for 5h; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; water; ethylene glycol; at 20 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c6cc04647a

Reference yield: 75.0%

2-Cyanopyridine (100-70-9,1232006-36-8) + 1-Bromopentane (110-53-2) → 1-(pyridin-2-yl)hexan-1-one (42203-03-2)

Guidance literature:

1-Bromopentane; With iodine; magnesium; In tetrahydrofuran;

2-Cyanopyridine; In tetrahydrofuran; at 0 ℃;

DOI:10.1021/acs.orglett.5b01878

Reference yield: 59.0%

(E)-1-(pyridin-2-yl)-hex-2-en-1-ol → 1-(pyridin-2-yl)hexan-1-one (42203-03-2)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; for 8h; Inert atmosphere;

DOI:10.1016/j.tet.2011.03.052

upstream raw materials:

ethyl-2-picolinate

pentamethylenebis(magnesium bromide)

pyridine-2-carbaldehyde

1-penten

Refernces

• 1、 Li, Xuezhao,Wu, Jinguo,Chen, Liyong,Zhong, Xiaoming,He, Cheng,Zhang, Rong,Duan, Chunying. "Engineering an iridium-containing metal-organic molecular capsule for induced-fit geometrical conversion and dual catalysis". supporting information. p. 9628 - 9631. Retrieved 2016/08/04.
• 2、 Wang, Xinbo,Wang, David Zhigang. "Aerobic oxidation of secondary benzylic alcohols and direct oxidative amidation of aryl aldehydes promoted by sodium hydride". supporting information; experimental part. p. 3406 - 3411. Retrieved 2011/06/17.