1-(3-Methoxypyridin-4-yl)ethanone

Base Information

• Chemical Name: 1-(3-Methoxypyridin-4-yl)ethanone
• CAS No.: 83431-02-1
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• Hs Code.: 2933399090
• European Community (EC) Number: 873-972-4
• DSSTox Substance ID: DTXSID30510263
• Wikidata: Q82368439
• Mol file: 83431-02-1.mol

Synonyms:1-(3-Methoxypyridin-4-yl)ethanone;83431-02-1;1-(3-methoxypyridin-4-yl)ethan-1-one;3-methoxy-4-acetylpyridine;SCHEMBL459318;DTXSID30510263;GQTWZLYQSMCSSU-UHFFFAOYSA-N;MFCD18258806;AKOS016002734;DS-2224;CS-0082296;FT-0733196;C76667;EN300-154423;Ethanone, 1-(3-methoxy-4-pyridinyl)- (9CI);A864265

Chemical Property of 1-(3-Methoxypyridin-4-yl)ethanone

Chemical Property:

• Melting Point: 22-24 °C
• Boiling Point: 63-65 °C(Press: 0.025 Torr)
• PKA: 2.48±0.10(Predicted)
• PSA: 39.19000
• Density: 1.093±0.06 g/cm3(Predicted)
• LogP: 1.29280
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

NLT 98% ^*data from raw suppliers

1-(3-Methoxypyridin-4-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=NC=C1)OC

Technology Process of 1-(3-Methoxypyridin-4-yl)ethanone

There total 4 articles about 1-(3-Methoxypyridin-4-yl)ethanone 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: 75.0%

methyl magnesium iodide (917-64-6) + 3-methoxypyridine-4-carbonitrile (26414-90-4) → 1-(3-methoxypyridin-4-yl)-ethanone (83431-02-1)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.bmc.2015.07.056

Reference yield: 46.0%

→ 1-(3-methoxypyridin-4-yl)-ethanone (83431-02-1)

Guidance literature:

Reference yield:

methyl 3-methoxy-4-pyridinecarboxylate (59786-32-2) + ethyl acetate (141-78-6) → 1-(3-methoxypyridin-4-yl)-ethanone (83431-02-1)

Guidance literature:

With hydrogenchloride; sodium methylate; Yield given. Multistep reaction; 1.) 18 h, reflux, 2.) 3 h, reflux;

upstream raw materials:

methyl 3-methoxy-4-pyridinecarboxylate

ethyl acetate

methyl magnesium iodide

3-methoxypyridine-4-carbonitrile

Downstream raw materials:

1-(3-hydroxypyridin-4-yl)ethan-1-one

3-methylisooxozolo<5,4-c>pyridine

Refernces

• 1、 Lounsbury, Nicole,Mateo, George,Jones, Brielle,Papaiahgari, Srinivas,Thimmulappa, Rajash K.,Teijaro, Christiana,Gordon, John,Korzekwa, Kenneth,Ye, Min,Allaway, Graham,Abou-Gharbia, Magid,Biswal, Shyam,Childers, Wayne. "Heterocyclic chalcone activators of nuclear factor (erythroid-derived 2)-like 2 (Nrf2) with improved in vivo efficacy". supporting information. p. 5352 - 5359. Retrieved 2015/11/11.
• 2、 Camparini, Alfredo,Chimichi, Stefano,Ponticelli, Fabio,Tedeschi, Piero. "AZABENZOXAZOLES: SYNTHESIS OF 3-METHYLISOXAZOLO- AND 2-METHYLOXAZOLOPYRIDINES". . p. 1511 - 1515. Retrieved 2007/10/02.