3,4-DIMETHOXY-2-METHYLPYRIDINE N-OXIDE

Base Information

• Chemical Name: 3,4-DIMETHOXY-2-METHYLPYRIDINE N-OXIDE
• CAS No.: 72830-07-0
• Molecular Formula: C8H11NO3
• Molecular Weight: 169.18
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60444284
• Nikkaji Number: J1.761.828H
• Wikidata: Q82262385
• Mol file: 72830-07-0.mol

Synonyms:2-Methyl-3,4-dimethoxypyridineN-oxide;3,4-Dimethoxy-2-methylpyridine 1-oxide;

Chemical Property of 3,4-DIMETHOXY-2-METHYLPYRIDINE N-OXIDE

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.492
• Boiling Point: 333.581 °C at 760 mmHg
• PKA: 2.80±0.10(Predicted)
• Flash Point: 155.545 °C
• PSA: 43.92000
• Density: 1.119 g/cm³
• LogP: 1.44070
• Storage Temp.: 2-8°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 169.07389321
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

98% ^*data from raw suppliers

3,4-Dimethoxy-2-methylpyridine-N-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=[N+](C=CC(=C1OC)OC)[O-]
• Uses: 3,4-Dimethoxy-2-methylpyridine-N-oxide can be used for?one pot synthesis of 2-[2-(pyridylmethyl)thio]-1H-benzimidazoles, which are intermediates for preparing H+/K+-ATPase inhibitors. 3,4-Dimethoxy-2-methylpyridine-N-oxide is an impurity of Pantoprazole (P183000).

Technology Process of 3,4-DIMETHOXY-2-METHYLPYRIDINE N-OXIDE

There total 11 articles about 3,4-DIMETHOXY-2-METHYLPYRIDINE N-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: 98.0%

3,4-dimethoxy-2-methylpyridine (107512-35-6) → 3,4-dimethoxy-2-methylpyridine N-oxide ? (72830-07-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 4h; Ambient temperature;

DOI:10.1021/jm00025a008

Reference yield: 91.0%

methanol (67-56-1) + 4-chloro-3-methoxy-2-methylpyridine N-oxide (122307-41-9) → 3,4-dimethoxy-2-methylpyridine N-oxide ? (72830-07-0)

Guidance literature:

With sodium methylate; for 18h;

DOI:10.1021/jm00084a010

Reference yield: 88.0%

sodium methylate (124-41-4) + 4-chloro-3-methoxy-2-methylpyridine N-oxide (122307-41-9) → 3,4-dimethoxy-2-methylpyridine N-oxide ? (72830-07-0)

Guidance literature:

In methanol; at 40 ℃; for 16h;

DOI:10.1016/j.bmcl.2012.06.051

upstream raw materials:

methanol

3-methoxy-2-methyl-4-nitropyridine 1-oxide

4-chloro-3-methoxy-2-methylpyridine N-oxide

3,4-dimethoxy-2-methylpyridine

Downstream raw materials:

2-acetoxymethyl-3,4-dimethoxypyridine

2-(chloromethyl)-3,4-dimethoxypyridine

2-hydroxymethyl-3,4-dimethoxypyridine

2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride