2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-methoxypyridine

Base Information

• Chemical Name: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-methoxypyridine
• CAS No.: 638352-78-0
• Molecular Formula: C12H14 N2 O
• Molecular Weight: 202.256
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90351896
• Wikidata: Q82128716
• Mol file: 638352-78-0.mol

Synonyms:2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-methoxypyridine;638352-78-0;2-(2,5-dimethylpyrrol-1-yl)-5-methoxypyridine;5-METHOXY-2-(2,5-DIMETHYL-1H-PYRROL-1-YL)PYRIDINE;AB3876;Pyridine,2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-methoxy-;SCHEMBL2269126;DTXSID90351896;CAJDYEQBNDREKH-UHFFFAOYSA-N;MFCD03449180;STK710259;AKOS000331721;SB62646;CS-0315723;EU-0048662;FT-0645631;A904919;SR-01000259985;J-400079;SR-01000259985-1;1-(5-Methoxypyridin-2-yl)-2,5-dimethyl-1H-pyrrole;2-(2,5-dimethyl-1h-pyrrol-1-yl)-5-methoxy-pyridine

Chemical Property of 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-methoxypyridine

Chemical Property:

• Vapor Pressure: 0.000202mmHg at 25°C
• Boiling Point: 337.7oC at 760 mmHg
• Flash Point: 158oC
• PSA: 27.05000
• Density: 1.07g/cm3
• LogP: 2.49770
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 202.110613074
• Heavy Atom Count: 15
• Complexity: 200

Purity/Quality:

98%min ^*data from raw suppliers

2-(2,5-Dimethyl-1H-pyrrol-1-yl)-5-methoxypyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(N1C2=NC=C(C=C2)OC)C

Technology Process of 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-methoxypyridine

There total 4 articles about 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-methoxypyridine 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%

methanol (67-56-1) + 1-(5-iodopyridin-2-yl)-2,5-dimethyl-1H-pyrrole (477889-91-1) → 1-(5-methoxypyridin-2-yl)-2,5-dimethyl-1H-pyrrole (638352-78-0)

Guidance literature:

methanol; 1-(5-iodopyridin-2-yl)-2,5-dimethyl-1H-pyrrole; With copper(l) iodide; sodium; In N,N-dimethyl-formamide; at 80 ℃; for 3h;

With ammonium chloride; In di-isopropyl ether; water; N,N-dimethyl-formamide; at 20 ℃;

Reference yield: 96.0%

sodium methylate (124-41-4) + 1-(5-iodopyridin-2-yl)-2,5-dimethyl-1H-pyrrole (477889-91-1) → 1-(5-methoxypyridin-2-yl)-2,5-dimethyl-1H-pyrrole (638352-78-0)

Guidance literature:

With copper(l) chloride; In methanol; N,N-dimethyl-formamide; at 80 ℃; for 2h;

DOI:10.1002/ejoc.200300192

Reference yield: 95.2%

5-bromo-2-(2,5-dimethyl-pyrrol-1-yl)-pyridine (228710-82-5) + sodium methylate (124-41-4) → 1-(5-methoxypyridin-2-yl)-2,5-dimethyl-1H-pyrrole (638352-78-0)

Guidance literature:

With copper(l) iodide; In methanol; N,N-dimethyl-formamide; at 80 ℃; for 3h;

DOI:10.14233/ajchem.2016.19692

upstream raw materials:

sodium methylate

1-(5-iodopyridin-2-yl)-2,5-dimethyl-1H-pyrrole

methanol

5-bromo-2-(2,5-dimethyl-pyrrol-1-yl)-pyridine

Downstream raw materials:

3-(2-chloro-6-methylphenyl)-7-(2-methoxy-4-(1-methylpiperidin-4-yl)phenylamino)-1-(5-methoxypyridin-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

2-amino-5-methoxypyridine

2-chloro-5-methoxypyridine

Refernces

• 1、 Cheng,Liu. "Synthesis of 2-amino-5-hydroxypyridine via demethoxylation". . p. 1403 - 1404. Retrieved 2016/04/08.
• 2、 Luetzen, Arne,Hapke, Marko,Staats, Holger,Bunzen, Jens. "Synthesis of Differently Disubstituted 2,2′-Bipyridines by a Modified Negishi Cross-Coupling Reaction". . p. 3948 - 3957. Retrieved 2007/10/03.