5-Ethyl-2-methylpyridine

Base Information

• Chemical Name: 5-Ethyl-2-methylpyridine
• CAS No.: 104-90-5
• Molecular Formula: C8H11N
• Molecular Weight: 121.182
• Hs Code.: 29333990
• European Community (EC) Number: 203-250-0
• ICSC Number: 1772
• NSC Number: 1984
• UN Number: 2300
• UNII: WG205CGK3Y
• DSSTox Substance ID: DTXSID7021861
• Nikkaji Number: J5.037G
• Wikipedia: 5-Ethyl-2-methylpyridine
• Wikidata: Q27292618
• Metabolomics Workbench ID: 44017
• ChEMBL ID: CHEMBL227181
• Mol file: 104-90-5.mol

Synonyms:2-methyl-5-ethylpyridine

Chemical Property of 5-Ethyl-2-methylpyridine

Chemical Property:

• Appearance/Colour: Clear liquid
• Vapor Pressure: 1.5mmHg at 25°C
• Melting Point: -70.9 °C
• Refractive Index: n20/D 1.497(lit.)
• Boiling Point: 176 °C at 760 mmHg
• PKA: pK1:6.51(+1) (20°C)
• Flash Point: 66.1 °C
• PSA: 12.89000
• Density: 0.919 g/cm³
• LogP: 1.95240
• Storage Temp.: Store below +30°C.
• Solubility.: 12.0g/l
• Water Solubility.: practically insoluble
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 121.089149355
• Heavy Atom Count: 9
• Complexity: 80.6
• Transport DOT Label: Poison

Purity/Quality:

98% ^*data from raw suppliers

5-?Ethyl-?2-?methylpyridine(5-Ethyl-2-picoline) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,N
• Hazard Codes: C,N
• Statements: 20/22-34-20/21/22-52/53
• Safety Statements: 26-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyridines
• Canonical SMILES: CCC1=CN=C(C=C1)C
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the skin and eyes. The substance may be irritating to the respiratory tract.
• Uses: 5-Ethyl-2-methylpyridine is found in alcoholic beverages. 5-Ethyl-2-methylpyridine is present in dry red beans, cocoa, tea and whisky. 5-Ethyl-2-methylpyridine is a flavouring agent. 5-Ethyl-2-methylpyridine is one of the components that contribute to the nutty, roasted aroma in the Parmigiano-Reggiano cheese. Perfume composition 5-Ethyl-2-methylpyridine is used as specific solvent and as intermediate for several chemical reactions. Attributes PIS available on request. Please contact us. Contact

Technology Process of 5-Ethyl-2-methylpyridine

There total 56 articles about 5-Ethyl-2-methylpyridine 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%

5-ethyl-2-methylpyridine-N-oxide (768-44-5) → 5-ethyl-2-methyl-pyridine (104-90-5)

Guidance literature:

With Dimethylphenylsilane; In tetrahydrofuran; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c5ra08845c

Reference yield: 61.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + acetaldehyde (75-07-0,9002-91-9) → pyridine (110-86-1) + 3,5-Lutidine (591-22-0) + 3-ethylpyridine (536-78-7,151103-56-9) + 5-ethyl-2-methyl-pyridine (104-90-5) + 3-Methylpyridine (108-99-6) + 2,5-dimethylpyridine (589-93-5)

Guidance literature:

With diammonium phosphate; at 230 ℃; for 1.5h; under 26252.1 - 27752.2 Torr; Product distribution; investigation of the synthesis of pyridines from mixtures aldehydes;

DOI:10.1002/hlca.19840670811

Reference yield: 19.0%

hexamethylenetetramine (100-97-0) + paracetaldehyde (123-63-7) → 3-ethylpyridine (536-78-7,151103-56-9) + 5-ethyl-2-methyl-pyridine (104-90-5) + 3-Methylpyridine (108-99-6) + 2,5-dimethylpyridine (589-93-5)

Guidance literature:

With diammonium phosphate; In ethanol; water; at 230 ℃; for 1h; Further byproducts given;

DOI:10.1002/hlca.19840670811

upstream raw materials:

acetamide

1,1-dichloroethane

2-butenoic acid

methoxyethene

Downstream raw materials:

5-ethyl-2-propenyl-pyridine

(+/-)-Santonin-C

2-(3'-Phenylpropyl)-5-ethylpyridine

2-(5-ethylpyridin-2-ylmethyl)cyclohexanol

Refernces

• 1、 Vogt,Mayer. "-". . p. 5887. Retrieved 1966.
• 2、 Tschitschibabin,Oparina. "-". . . Retrieved 1924.
• 3、 Grigor’eva,Filippova,Bubennov,Khazipova,Kutepov,Dyakonov. "Microporous and Micro-meso-macroporous Y Zeolites in the Synthesis of 2-Methyl-5-ethylpyridine". . p. 364 - 369. Retrieved 2021/03/19.
• 4、 Donck, Simon,Gravel, Edmond,Shah, Nimesh,Jawale, Dhanaji V.,Doris, Eric,Namboothiri, Irishi N. N.. "Deoxygenation of amine N-oxides using gold nanoparticles supported on carbon nanotubes". . p. 50865 - 50868. Retrieved 2015/06/25.