4-Propylpyridine

Base Information

• Chemical Name: 4-Propylpyridine
• CAS No.: 1122-81-2
• Molecular Formula: C8H11N
• Molecular Weight: 121.182
• Hs Code.: 2933399090
• European Community (EC) Number: 214-360-3
• NSC Number: 967
• UNII: 0RAV2AQL8R
• DSSTox Substance ID: DTXSID0061531
• Nikkaji Number: J45.580F
• Wikidata: Q63408993
• Mol file: 1122-81-2.mol

Synonyms:4-propylpyridine

Chemical Property of 4-Propylpyridine

Chemical Property:

• Vapor Pressure: 0.912mmHg at 25°C
• Melting Point: 4ºC
• Refractive Index: 1.496
• Boiling Point: 186.413 °C at 760 mmHg
• PKA: 6.04±0.10(Predicted)
• Flash Point: 64.51 °C
• PSA: 12.89000
• Density: 0.918 g/cm³
• LogP: 2.03410
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 121.089149355
• Heavy Atom Count: 9
• Complexity: 65

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Propylpyridine >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC1=CC=NC=C1
• Uses: Intermediate.

Technology Process of 4-Propylpyridine

There total 23 articles about 4-Propylpyridine 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: 97.0%

picoline (108-89-4) + ethyl bromide (74-96-4) → 4-n-propylpyridine (1122-81-2)

Guidance literature:

picoline; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

ethyl bromide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 16h; Inert atmosphere;

DOI:10.1002/ejoc.201900399

Reference yield: 89.0%

1-(2,5-Dimethyl-pyrrol-1-yl)-4-propyl-1,4-dihydro-pyridine → 4-n-propylpyridine (1122-81-2)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); In tetrahydrofuran; for 48h; Heating;

Reference yield: 59.0%

4-vinylpyridine (100-43-6,329041-72-7) + acetic acid (64-19-7,77671-22-8) → 4-n-propylpyridine (1122-81-2)

Guidance literature:

With titanium(IV) dioxide; In acetonitrile; for 48h; Inert atmosphere; Irradiation; Cooling;

DOI:10.1021/jacs.0c08688

upstream raw materials:

pyridine

dibutyryl peroxide

propionic acid anhydride

butyric acid

Downstream raw materials:

1-benzyl-4-propyl-1,2,3,6-tetrahydropyridine

N-(4-propylpyridin-2-yl)-4-(4,4,5,5-tetramethyl-1 ,3,2-dioxaborolan-2-yl)benzamide

Refernces

• 1、 Hulst, Ron,Muizebelt, Inouk,Oosting, Peter,Van Der Pol, Cornelia,Wagenaar, Anno,Smisterova, Jarmila,Bulten, Erna,Driessen, Cecile,Hoekstra, Dick,Engberts, Jan B. F. N.. "Sunfish amphiphiles: Conceptually new carriers for DNA delivery". . p. 835 - 849. Retrieved 2004.
• 2、 van der Heijden, Gydo,van Schaik, Timo B.,Mouarrawis, Valentinos,de Wit, Martin J. M.,Velde, Christophe M. L. Vande,Ruijter, Eelco,Orru, Romano V. A.. "Efficient Diastereoselective Three-Component Synthesis of Pipecolic Amides". supporting information. p. 5313 - 5325. Retrieved 2019/06/10.