1-(3-Pyridyl)ethan-1-one oxime

Base Information

• Chemical Name: 1-(3-Pyridyl)ethan-1-one oxime
• CAS No.: 960622-18-8
• Molecular Formula: C₇H₈N₂O
• Molecular Weight: 136.153
• European Community (EC) Number: 611-872-2
• DSSTox Substance ID: DTXSID101297772
• Nikkaji Number: J41.584G
• Wikidata: Q76310634

Synonyms:5973-83-1;1-(3-pyridyl)ethan-1-one oxime;1-Pyridin-3-yl-ethanone oxime;Ethanone, 1-(3-pyridinyl)-, oxime (9CI);1-Pyridin-3-yl-ethanoneoxime;3-Pyridyl(methyl) ketone oxime;SCHEMBL10665182;DTXSID101297772;(Z)-1-(Pyridin-3-yl)ethanoneoxime;AB7740;(1Z)-1-(3-Pyridinyl)ethanone oxime;AKOS005257214;(Z)-1-(pyridin-3-yl)ethan-1-one oxime;CS-0200062;A915501

Chemical Property of 1-(3-Pyridyl)ethan-1-one oxime

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 136.063662883
• Heavy Atom Count: 10
• Complexity: 134

Purity/Quality:

97% ^*data from raw suppliers

(Z)-1-(Pyridin-3-yl)ethanoneoxime 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=NO)C1=CN=CC=C1
• Isomeric SMILES: C/C(=N/O)/C1=CN=CC=C1

Technology Process of 1-(3-Pyridyl)ethan-1-one oxime

There total 2 articles about 1-(3-Pyridyl)ethan-1-one oxime 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:

3-hydroxy-3-(3-pyridyl)butan-2-one oxime → methyl-3-pyridylketone (350-03-8) + (Z)-1-pyridin-3-yl-ethanone oxime (960622-18-8)

Guidance literature:

With PPA; at 40 - 110 ℃; Title compound not separated from byproducts.;

DOI:10.1007/s11172-007-0252-4

Reference yield:

methyl-3-pyridylketone (350-03-8) → (E)-1-(pyridin-3-yl)ethanone oxime (106881-77-0) + (Z)-1-pyridin-3-yl-ethanone oxime (960622-18-8)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In ethanol; water; at 20 ℃; optical yield given as %de;

DOI:10.1002/0471264229.os087.05

upstream raw materials:

methyl-3-pyridylketone

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