3-Ethylpyridine

Base Information

• Chemical Name: 3-Ethylpyridine
• CAS No.: 536-78-7
• Molecular Formula: C7H9N
• Molecular Weight: 107.155
• Hs Code.: 29333990
• European Community (EC) Number: 208-647-2
• UNII: A25I3EZ88V
• DSSTox Substance ID: DTXSID6060212
• Nikkaji Number: J15.069J
• Wikidata: Q27273525
• Metabolomics Workbench ID: 44022
• ChEMBL ID: CHEMBL23025
• Mol file: 536-78-7.mol

Synonyms:3-ethylpyridine

Chemical Property of 3-Ethylpyridine

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 2.42mmHg at 25°C
• Melting Point: -77 °C
• Refractive Index: n20/D 1.502(lit.)
• Boiling Point: 165.8 °C at 760 mmHg
• PKA: pK1:5.80(+1) (20°C)
• Flash Point: 48.9 °C
• PSA: 12.89000
• Density: 0.927 g/cm³
• LogP: 1.64400
• Sensitive.: Hygroscopic
• Solubility.: alcohol: freely soluble
• Water Solubility.: 270.1g/L(196 oC)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 107.073499291
• Heavy Atom Count: 8
• Complexity: 61.4

Purity/Quality:

99% ^*data from raw suppliers

3-Ethylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C
• Hazard Codes: Xi,C
• Statements: 10-36/37/38-34-23/24/25
• Safety Statements: 16-26-36/37-45-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1=CN=CC=C1
• Uses: 3-Ethylpyridine was used to to identify the toxicants in cigarette smoke solutions and to determine their effective doses using in vitro bioassays.

Technology Process of 3-Ethylpyridine

There total 51 articles about 3-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: 76.0%

methyl (E)-2-(1-(pyridin-3-yl)ethylidene)hydrazine-1-carboxylate → 3-ethylpyridine (536-78-7,151103-56-9)

Guidance literature:

With potassium hydroxide; In 2,2'-[1,2-ethanediylbis(oxy)]bisethanol; at 140 ℃; for 4h;

DOI:10.1055/s-0035-1560805

Reference yield: 75.0%

4-methyl-N′-(1-(pyridin-3-yl)ethylidene)benzenesulfonohydrazide (453523-36-9) → 3-ethylpyridine (536-78-7,151103-56-9)

Guidance literature:

With dichloro bis(1,4-diazabicyclo[2.2.2]octane)(BH₄)Zr(IV); toluene-4-sulfonic acid; In sulfolane; N,N-dimethyl-formamide; at 110 ℃; for 4.1h;

DOI:10.1055/s-2004-836038

Reference yield: 72.0%

3-hydroxymethylpyridin (100-55-0) + dimethylsulfone (67-71-0) → 3-ethylpyridine (536-78-7,151103-56-9)

Guidance literature:

With platinum on carbon; potassium tert-butylate; hydrogen; In toluene; for 24h; under 1875.19 Torr; Inert atmosphere; Reflux;

DOI:10.1002/chem.201505109

upstream raw materials:

brucine

1-methylpiperidine

methyl-3-pyridylketone

5-ethylpyridine-2-carboxylic acid

Downstream raw materials:

pyridine

ethylbenzene

1-benzyl-3-ethyl-pyridinium chloride

methyl-3-pyridylketone

Refernces

• 1、 Bera, Jitendra K.,Choudhury, Joyanta,Das, Shubhajit,Dutta, Indranil,Pati, Swapan K.,Saha, Sayantani,Yadav, Suman. "An Annelated Mesoionic Carbene (MIC) Based Ru(II) Catalyst for Chemo- And Stereoselective Semihydrogenation of Internal and Terminal Alkynes". . p. 3212 - 3223. Retrieved 2020/10/02.
• 2、 Cranwell, Philippa B.,Russell, Andrew T.,Smith, Christopher D.. "Methyl Hydrazinocarboxylate as a Practical Alternative to Hydrazine in the Wolff-Kishner Reaction". . p. 131 - 135. Retrieved 2015/12/26.