4-Methoxy-2,3,5-trimethylpyridine

Base Information

• Chemical Name: 4-Methoxy-2,3,5-trimethylpyridine
• CAS No.: 109371-19-9
• Molecular Formula: C9H13 N O
• Molecular Weight: 151.208
• Hs Code.: 2933399090
• European Community (EC) Number: 600-915-0
• DSSTox Substance ID: DTXSID40148915
• Nikkaji Number: J900.434C
• Wikidata: Q83014584
• Mol file: 109371-19-9.mol

Synonyms:4-methoxy-2,3,5-trimethylpyridine;4-MeTMP

Chemical Property of 4-Methoxy-2,3,5-trimethylpyridine

Chemical Property:

• Vapor Pressure: 0.118mmHg at 25°C
• Refractive Index: 1.496
• Boiling Point: 227.2±35.0 oC (760 Torr), Calc.*
• PKA: 7.83±0.28(Predicted)
• Flash Point: 82.6±16.2 oC, Calc.*
• PSA: 22.12000
• Density: 0.972±0.06 g/cm3 (20 oC 760 Torr), Calc.*
• LogP: 2.01540
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

99%, ^*data from raw suppliers

4-Methoxy-2,3,5-trimethylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(C(=C1OC)C)C
• Uses: 4-Methoxy-2,3,5-trimethylpyridine is a reagent in the synthesis of Omeprazole, which is a proton pump inhibitor used for the reduction of stomach acids.

Technology Process of 4-Methoxy-2,3,5-trimethylpyridine

There total 7 articles about 4-Methoxy-2,3,5-trimethylpyridine 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: 97.4%

4-methoxy-2,3,5-trimethylpyridine 1-oxide (86604-80-0) → 4-methoxy-2,3,5-trimethylpyridine (109371-19-9)

Guidance literature:

With Raney nickel; In methanol; at 40 ℃; for 6h; Temperature;

Reference yield: 77.0%

methanol (67-56-1) + 4-chloro-2,3,5-trimethylpyridine (109371-18-8) → 4-methoxy-2,3,5-trimethylpyridine (109371-19-9)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 60 ℃; for 15h;

Reference yield:

omeprazole (73590-58-6) → 5-methoxy-1H-benzimidazole (4887-80-3) + 4-methoxy-2,3,5-trimethylpyridine (109371-19-9)

Guidance literature:

With tritium; rhodium; In tetrahydrofuran;

DOI:10.1002/jlcr.3346

upstream raw materials:

methanol

4-chloro-2,3,5-trimethylpyridine

4-methoxy-2,3,5-trimethylpyridine 1-oxide

omeprazole

Downstream raw materials:

4-methoxy-2,3,5-trimethylpyridine 1-oxide

(chloromethyl)-4-methoxy-3,5-dimethylpyridine

esomeprazole

omeprazole

Refernces

• 1、 -. "Preparation method of omeprazole midbody". Paragraph 0053-0064. . Retrieved 2019/10/22.
• 2、 Knoth,Oelschlaeger,Volke,Ludvik. "-". . p. 686 - 691. Retrieved 2007/10/03.