2,6-Dimethyl-d6-pyridine

Base Information

• Chemical Name: 2,6-Dimethyl-d6-pyridine
• CAS No.: 10259-14-0
• Molecular Formula: C₇H₉N
• Molecular Weight: 113.108
• European Community (EC) Number: 693-973-1
• DSSTox Substance ID: DTXSID00445598
• Nikkaji Number: J831.289C
• Wikidata: Q82264069
• Mol file: 10259-14-0.mol

Synonyms:2,6-Dimethyl-d6-pyridine;10259-14-0;2,6-bis(trideuteriomethyl)pyridine;2,6-Litidine D6;DTXSID00445598;CS-T-57321;2,6-Lutidine-(dimethyl-d6), 98 atom % D

Chemical Property of 2,6-Dimethyl-d6-pyridine

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.111159767
• Heavy Atom Count: 8
• Complexity: 62.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,6-Litidine-d6 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC(=CC=C1)C
• Isomeric SMILES: [2H]C([2H])([2H])C1=NC(=CC=C1)C([2H])([2H])[2H]
• Uses: 2,6-Di(methyl-d3)-pyridine is the labeled version of 2,6-Lutidine, isolated from the basic fraction of coal tar. A semi-volatile compound in tobacco.

Technology Process of 2,6-Dimethyl-d6-pyridine

There total 3 articles about 2,6-Dimethyl-d6-pyridine 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: 95.0%

2,6-Dibromopyridine (626-05-1) + methyl-d3-magnesium iodide (41251-37-0) → 2,6-bis(trideuteriomethyl)pyridine (10259-14-0)

Guidance literature:

iron(III)-acetylacetonate; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; diethyl ether; at 20 - 27 ℃; for 0.666667h; Inert atmosphere;

Reference yield: 86.0%

2,6-dimethylpyridine (108-48-5) → 2,6-bis(trideuteriomethyl)pyridine (10259-14-0)

Guidance literature:

With water-d2; potassium carbonate; at 180 ℃; for 132h;

DOI:10.1002/jhet.5570340257

Reference yield:

2,6-dichloropyridine (2402-78-0) + (methyl-d3)magnesium bromide (77491-27-1) → 2,6-bis(trideuteriomethyl)pyridine (10259-14-0)

Guidance literature:

With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); In tetrahydrofuran; diethyl ether; at 0 ℃; for 1.83333h; Inert atmosphere; Reflux;

upstream raw materials:

2,6-dimethylpyridine

2,6-Dibromopyridine

methyl-d3-magnesium iodide

2,6-dichloropyridine

Downstream raw materials:

4-methyl-N-(2-(6-methylpyridin-2-yl)-1-phenylethyl)benzenesulfonamide

C₂₁H₁₆⁽²⁾H₆N₂O₂S

Refernces

• 1、 -. "1,2,4-TRIAZINE-4-AMINE DERIVATIVES". Page/Page column 109. . Retrieved 2011/09/14.
• 2、 Kebede, Naod,Pavlik, James W.. "Hydrogen-Deuterium Exchange in Dimethylpyridines". . p. 685 - 686. Retrieved 2007/10/03.