2,3,5-Trimethylpyridine 1-oxide

Base Information

• Chemical Name: 2,3,5-Trimethylpyridine 1-oxide
• CAS No.: 74409-42-0
• Molecular Formula: C8H11 N O
• Molecular Weight: 137.181
• Hs Code.: 2933399090
• European Community (EC) Number: 616-091-0,955-464-5
• DSSTox Substance ID: DTXSID40440623
• Nikkaji Number: J261.941E
• Wikidata: Q82256981
• Mol file: 74409-42-0.mol

Synonyms:74409-42-0;2,3,5-trimethylpyridine 1-oxide;2,3,5-trimethyl-1-oxidopyridin-1-ium;2,3,5-Trimethylpyridine N-Oxide;2,3,5-trimethyl-pyridine 1-oxide;2,3,5-TRIMETHYLPYRIDINE-1-OXIDE;2,3,5-trimethylpyridine1-oxide;2,3,5-trimethylpyridin-1-ium-1-olate;Pyridine, 2,3,5-trimethyl-, 1-oxide;2,3,5-TRIMETHYLPYRIDINE-N-OXIDE;2,3,5-collidine-N-oxide;SCHEMBL286168;DTXSID40440623;YSBDSWBSEXCSSE-UHFFFAOYSA-N;2.3.5-trimethylpyridine 1-oxide;2,3,5-trimethyl-pyridine-N-oxide;AMY41518;MFCD00126841;AKOS006272701;BS-17516;CS-0166413;FT-0675635;O10563;2,3,5-trimethylpyridine 1-oxide? (Omeprazole Impurity;2,3,5-trimethyl-1-oxido-pyridin-1-ium

Chemical Property of 2,3,5-Trimethylpyridine 1-oxide

Chemical Property:

• Melting Point: 40-41 °C
• Boiling Point: 95-98 °C(Press: 0.00998 Torr)
• PKA: 1.62±0.10(Predicted)
• PSA: 25.46000
• Density: 0.99±0.1 g/cm3(Predicted)
• LogP: 2.04030
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 137.084063974
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

97% ^*data from raw suppliers

2,3,5-TrimethylpyridineN-Oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C([N+](=C1)[O-])C)C

Technology Process of 2,3,5-Trimethylpyridine 1-oxide

There total 3 articles about 2,3,5-Trimethylpyridine 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%

2,3,5-trimethyl-pyridine (695-98-7) → 2,3,5-trimethylpyridine 1-oxide (74409-42-0)

Guidance literature:

With phosphotungstic acid; dihydrogen peroxide; at 45 - 85 ℃; for 8h; Reagent/catalyst; Temperature;

Reference yield: 94.0%

2,3,5-trimethyl-pyridine (695-98-7) + dichloromethane (75-09-2) + dihydrogen peroxide (7722-84-1) → 2,3,5-trimethylpyridine 1-oxide (74409-42-0)

Guidance literature:

With sodium hydroxide; acetic acid;

Reference yield: 70.0%

→ 2,3,5-trimethylpyridine 1-oxide (74409-42-0)

Guidance literature:

upstream raw materials:

2,3,5-trimethyl-pyridine

dichloromethane

dihydrogen peroxide

Downstream raw materials:

acetic acid 3,5-dimethylpyridin-2-ylmethyl ester

3-methoxy-2-methyl-6-nitropyridine 1-oxide

2,3,5-trimethyl-4-nitropyridine N-oxide

(4-methoxy-3,5-dimethylpyridin-2-yl)methanol