3-Methylpyridine 1-oxide

Base Information

• Chemical Name: 3-Methylpyridine 1-oxide
• CAS No.: 1003-73-2
• Molecular Formula: C6H7NO
• Molecular Weight: 109.128
• Hs Code.: 29333990
• European Community (EC) Number: 213-714-4
• NSC Number: 18254
• UNII: YA9Q5YUG2M
• DSSTox Substance ID: DTXSID3037258
• Nikkaji Number: J110.372E
• Wikidata: Q72499423
• Mol file: 1003-73-2.mol

Synonyms:3-Methylpyridine 1-oxide;1003-73-2;3-Picoline-N-oxide;3-Picoline N-oxide;3-Methylpyridine N-oxide;3-Methylpyridine-N-oxide;Pyridine, 3-methyl-, 1-oxide;3-Picoline 1-oxide;3-Picoline, 1-oxide;beta-Picoline N-oxide;3-methyl-1-oxidopyridin-1-ium;3-Methylpyridine-1-oxide;beta-Picoline 1-oxide;3-methylpyridin-1-ium-1-olate;.beta.-Picoline N-oxide;MFCD00006203;EINECS 213-714-4;NSC 18254;YA9Q5YUG2M;AI3-60113;NSC-18254;NSC18254;beta-Picoline-N-oxide;3-Picoline-N- oxide;3-Methylpyridine1-oxide;UNII-YA9Q5YUG2M;.beta.-Picoline 1-oxide;C6H6NO;3-methyl-pyridine 1-oxide;SCHEMBL303789;DTXSID3037258;3-Methylpyridine N-oxide, 98%;STR00249;PYRIDINE, 3-METHYL-1-OXIDE;3-methyl-1-oxidanidyl-pyridin-1-ium;AKOS004904002;AM81288;SY020469;LS-131818;BB 0220378;FT-0622935;P0419;EN300-21618;A800184;AC-907/34117036;W-108965;F0001-0038

Chemical Property of 3-Methylpyridine 1-oxide

Chemical Property:

• Appearance/Colour: Pale yellow to brown crystalline low melting mass
• Vapor Pressure: 0.00578mmHg at 25°C
• Melting Point: 37-39 °C(lit.)
• Refractive Index: 1.512
• Boiling Point: 282.3 °C at 760 mmHg
• PKA: pK1:10.921(+1) (25°C)
• Flash Point: 122.6 °C
• PSA: 25.46000
• Density: 1.01 g/cm³
• LogP: 1.42350
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Solubility.: >2000g/l
• Water Solubility.: soluble
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 109.052763847
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

99% ^*data from raw suppliers

3-Picoline 1-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C[N+](=CC=C1)[O-]
• Uses: An intermediate in the preparation of nicotine derivatives.

Technology Process of 3-Methylpyridine 1-oxide

There total 36 articles about 3-Methylpyridine 1-oxide 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: 100.0%

3-Methylpyridine (108-99-6) → 3-picoline-N-oxide (1003-73-2)

Guidance literature:

With dihydrogen peroxide; In acetic acid; at 70 ℃; Cooling with ice;

Reference yield: 52.0%

3-Methylpyridine (108-99-6) + perfluoro-cis-2-n-butyl-3-n-propyloxaziridine → 3-picoline-N-oxide (1003-73-2) + 3-Methyl-N-(perfluorobutanoyl)pyridinium-1-aminide

Guidance literature:

In chloroform; trichlorofluoromethane; at -60 ℃; for 0.5h;

DOI:10.1039/p19960002517

Reference yield: 50.0%

3-Methylpyridine (108-99-6) + Perfluoro-2-hexyl-3-pentyloxaziridine → 3-picoline-N-oxide (1003-73-2) + 3-Methyl-N-(perfluorohexanoyl)pyridinium-1-aminide

Guidance literature:

In chloroform; trichlorofluoromethane; at -60 ℃; for 0.5h;

DOI:10.1039/p19960002517

upstream raw materials:

3-Methylpyridine

3-methylpyridine N-oxide hemiperchlorate

hydrogenchloride

4-<4-Chlor-styryl-pyridin-N-oxid

Downstream raw materials:

3-methyl-2-(phenylethynyl)pyridine

5MPEP

3-methylpiperidinehydrochloride

4-(4'-N,N-dimethylaminostyryl)pyridine N-oxide

Refernces

• 1、 Herz,Tsai. "-". . p. 4184. Retrieved 1954.
• 2、 Nikbakht, Fatemeh,Heydari, Akbar. "Trichloroacetonitrile-hydrogen peroxide: A simple and efficient system for the selective oxidation of tertiary and secondary amines". . p. 2513 - 2516. Retrieved 2014.
• 3、 Tolstikov et al.. "-". . . Retrieved 1971.
• 4、 Tavakoli-Hoseini, Niloofar,Bamoharram, Fatemeh F.,Heravi, Majid M.. "Organic salts of polyoxometalates: Novel and efficient catalysts for the synthesis of pyridine n-oxide derivatives". . p. 912 - 915. Retrieved 2010.
• 5、 Lipshultz, Jeffrey M.,Radosevich, Alexander T.. "Uniting Amide Synthesis and Activation by PIII/PV-Catalyzed Serial Condensation: Three-Component Assembly of 2-Amidopyridines". supporting information. p. 14487 - 14494. Retrieved 2021/09/18.
• 6、 Palav, Amey,Misal, Balu,Ernolla, Anilkumar,Parab, Vinod,Waske, Prashant,Khandekar, Dileep,Chaudhary, Vinay,Chaturbhuj, Ganesh. "The M?CPbA?NH3(G) system: A safe and scalable alternative for the manufacture of (substituted) pyridine and quinoline N?oxides?". supporting information. p. 244 - 251. Retrieved 2019/03/17.