3-Bromo-2,4-dimethoxypyridine

Base Information

• Chemical Name: 3-Bromo-2,4-dimethoxypyridine
• CAS No.: 96246-00-3
• Molecular Formula: C7H8BrNO2
• Molecular Weight: 218.05
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40541826
• Nikkaji Number: J2.800.718C
• Wikidata: Q82418273
• Mol file: 96246-00-3.mol

Synonyms:3-Bromo-2,4-dimethoxypyridine;96246-00-3;3-BroMo-2,4-diMethoxy-pyridine;Pyridine, 3-bromo-2,4-dimethoxy-;SCHEMBL4541186;DTXSID40541826;MQPDFYKTAZWYQL-UHFFFAOYSA-N;AKOS016007087;AC-27220;AS-81959;CS-0005599;EN300-379832;F82029;A904310

Chemical Property of 3-Bromo-2,4-dimethoxypyridine

Chemical Property:

• PSA: 31.35000
• LogP: 1.86130
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 216.97384
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

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

3-Bromo-2,4-dimethoxypyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=NC=C1)OC)Br

Technology Process of 3-Bromo-2,4-dimethoxypyridine

There total 6 articles about 3-Bromo-2,4-dimethoxypyridine 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: 74.0%

2,4-dimethoxypyridine (18677-43-5) → 5-bromo-2,4-dimethoxypyridine (52606-07-2) + 3-bromo-2,4-dimethoxypyridine (96246-00-3)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; Inert atmosphere; Reflux;

Reference yield: 61.0%

methanol (67-56-1) + 2,3-dibromo-4-methoxypyridine (96245-98-6) → 3-bromo-2,4-dimethoxypyridine (96246-00-3)

Guidance literature:

With sodium methylate; at 130 ℃; for 13h;

DOI:10.1021/jo00214a012

Reference yield:

3-bromo-4-hydroxy-2(1H)-pyridinone (96245-97-5) + methyl iodide (74-88-4) → 3-bromo-2,4-dimethoxypyridine (96246-00-3)

Guidance literature:

With silver carbonate; at 20 ℃; for 72h; Inert atmosphere;

DOI:10.1021/ol9023437

upstream raw materials:

methanol

2,3-dibromo-4-methoxypyridine

3,4-dibromo-2-methoxypyridine

3-deazauracil

Downstream raw materials:

pre-tenellin B

pre-bassianin B

Refernces

• 1、 Ding, Feiqing,Leow, Min Li,Ma, Jimei,William, Ronny,Liao, Hongze,Liu, Xue-Wei. "Collective synthesis of 4-hydroxy-2-pyridone alkaloids and their antiproliferation activities". supporting information. p. 2548 - 2554. Retrieved 2014/10/15.
• 2、 Gibson, Katharine J.,d'Alarcao, Marc,Leonard, Nelson J.. "Rearrangaments of Azabiphenylenes. The Impact of Nitrogen Number and Position". . p. 2462 - 2468. Retrieved 2007/10/02.