4-Ethylpyridine

Base Information

• Chemical Name: 4-Ethylpyridine
• CAS No.: 536-75-4
• Deprecated CAS: 82005-10-5
• Molecular Formula: C7H9N
• Molecular Weight: 107.155
• Hs Code.: 29333999
• European Community (EC) Number: 208-646-7
• NSC Number: 965,822
• UNII: 3KW0SE2TL5
• DSSTox Substance ID: DTXSID60873555
• Nikkaji Number: J6.706G
• Wikidata: Q27257452
• ChEMBL ID: CHEMBL22977
• Mol file: 536-75-4.mol

Synonyms:4-ETHYLPYRIDINE;536-75-4;Pyridine, 4-ethyl-;.gamma.-Ethylpyridine;4-ethyl pyridine;4-Ethyl-pyridine;gamma-Ethylpyridine;EINECS 275-172-5;UNII-3KW0SE2TL5;3KW0SE2TL5;NSC 822;NSC-822;EINECS 208-646-7;151103-55-8;71077-16-2;Pyridine, 4-ethyl-, radical ion(1+) (9CI);4ethylpyridine;pyridine,4-ethyl-;Piridina, 4-etil-;4-(C2H5)-pyridine;4-Ethylpyridine, 98%;SCHEMBL14208;4-ETHYLPYRIDINE [MI];CHEMBL22977;NSC822;NSC965;DTXSID60873555;NSC-965;MFCD00006450;AKOS005146195;FS-4257;4-Ethylpyridine, purum, >=97.0% (GC);A7810;E0170;FT-0618424;EN300-18200;D90449;Q-101879;Q27257452;Z1251171246

Chemical Property of 4-Ethylpyridine

Chemical Property:

• Appearance/Colour: clear colorless to yellowish liquid
• Melting Point: -91 °C
• Refractive Index: n20/D 1.501(lit.)
• Boiling Point: 169.999 °C at 760 mmHg
• PKA: pK1:5.87(+1) (25°C)
• Flash Point: 46.305 °C
• PSA: 12.89000
• Density: 0.928 g/cm³
• LogP: 1.64400
• Storage Temp.: Flammables area
• Solubility.: 107g/l
• Water Solubility.: 34 g/L
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 107.073499291
• Heavy Atom Count: 8
• Complexity: 55.4

Purity/Quality:

98% ^*data from raw suppliers

4-Ethylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 10-36/37/38-20/21/22
• Safety Statements: 26-36-36/37/39-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyridines
• Canonical SMILES: CCC1=CC=NC=C1
• Uses: 4-Ethyl pyridine is used as a monomer in polymer chemistry. 4-Ethylpyridine is used to study the influence of counter-anion concentration on analyte retention.

Technology Process of 4-Ethylpyridine

There total 52 articles about 4-Ethylpyridine 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: 92.0%

methyl (4-pyridyl) ketone (1122-54-9) → 4-Ethylpyridine (536-75-4,151103-55-8)

Guidance literature:

With hydrogen; In para-xylene; at 110 ℃; for 24h; under 750.075 Torr; chemoselective reaction; Glovebox; Sealed tube;

DOI:10.1021/acs.inorgchem.1c01008

Reference yield: 92.0%

4-pyridylacetylene (2510-22-7) → 4-Ethylpyridine (536-75-4,151103-55-8)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 2h; under 2068.65 Torr;

DOI:10.1039/b814715a

Reference yield: 87.0%

4-vinylpyridine (100-43-6,329041-72-7) → 4-Ethylpyridine (536-75-4,151103-55-8)

Guidance literature:

With Ru[o-(SiMe₂)₂(C₆H₄)]₂(H)₂[CN-2,4,6-Me₃(C₆H₂)]₂; hydrogen; In toluene; at 25 ℃; for 6h; under 760.051 Torr; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.8b00812

upstream raw materials:

Quinuclidine

pyridine

ethanol

1,2-Diiodoethane

Downstream raw materials:

pyridine-4-carbonitrile

methyl (4-pyridyl) ketone

2,3-di(4-pyridyl) butane

(4-pyridyl) hydroxymethyl ketone

Refernces

• 1、 Beller, Matthias,Feng, Lu,Gao, Jie,Jackstell, Ralf,Jagadeesh, Rajenahally V.,Liu, Yuefeng,Ma, Rui. "Ambient Hydrogenation and Deuteration of Alkenes Using a Nanostructured Ni-Core–Shell Catalyst". supporting information. p. 18591 - 18598. Retrieved 2021/06/28.
• 2、 Blakemore, Caroline A.,France, Scott P.,Samp, Lacey,Nason, Deane M.,Yang, Eddie,Howard, Roger M.,Coffman, Karen J.,Yang, Qingyi,Smith, Aaron C.,Evrard, Edelweiss,Li, Wei,Dai, Linlin,Yang, Lixia,Chen, Zhiguang,Zhang, Qingli,He, Fangyan,Zhang, Jiesen. "Scalable, Telescoped Hydrogenolysis-Enzymatic Decarboxylation Process for the Asymmetric Synthesis of (R)-α-Heteroaryl Propionic Acids". supporting information. p. 421 - 426. Retrieved 2020/11/12.