3-Bromo-5-methoxypyridine

Base Information

• Chemical Name: 3-Bromo-5-methoxypyridine
• CAS No.: 50720-12-2
• Molecular Formula: C6H6BrNO
• Molecular Weight: 188.024
• Hs Code.: 29339900
• European Community (EC) Number: 629-553-1
• DSSTox Substance ID: DTXSID90355758
• Nikkaji Number: J1.768.196F
• Wikidata: Q72446412
• Mol file: 50720-12-2.mol

Synonyms:3-Bromo-5-methoxypyridine;50720-12-2;3-Bromo-5-methoxy-pyridine;5-Bromo-3-methoxypyridine;5-methoxy-3-bromopyridine;PYRIDINE, 3-BROMO-5-METHOXY-;3-bromo-5-methoxy pyridine;5-bromopyridin-3-yl methyl ether;MFCD00234169;3-METHOXY-5-BROMOPYRIDINE;SCHEMBL7444;5-bromo-3-methoxy pyridine;5-bromo-3-methoxy-pyridine;DTXSID90355758;FZWUIWQMJFAWJW-UHFFFAOYSA-N;3-Bromo-5-methoxypyridine, 97%;AKOS005199211;AC-3560;CS-W007427;HY-W007427;PB24634;PS-5508;BP-12863;SY005613;A7523;AM20070182;B3684;FT-0650050;EN300-100757;AC-907/25004516;J-501555;J-512031

Chemical Property of 3-Bromo-5-methoxypyridine

Chemical Property:

• Appearance/Colour: white to yellow low melting solid
• Melting Point: 31-35 °C(lit.)
• Boiling Point: 212.2 °C at 760 mmHg
• PKA: 2.26±0.10(Predicted)
• Flash Point: 102 °C
• PSA: 22.12000
• Density: 1.53 g/cm³
• LogP: 1.85270
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.96328
• Heavy Atom Count: 9
• Complexity: 89.1

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-5-methoxypyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=CN=C1)Br

Technology Process of 3-Bromo-5-methoxypyridine

There total 7 articles about 3-Bromo-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: 93.0%

3,5-dibromopyridine (625-92-3) + sodium methylate (124-41-4) → 3-bromo-5-methoxypyridine (50720-12-2)

Guidance literature:

In DMF (N,N-dimethyl-formamide); at 20 - 70 ℃;

Reference yield: 86.0%

3,5-dibromopyridine (625-92-3) + methanol (67-56-1) → 3-bromo-5-methoxypyridine (50720-12-2)

Guidance literature:

With sodium methylate; In N,N-dimethyl-formamide; at 90 - 100 ℃;

DOI:10.1016/j.tetlet.2005.01.103

Reference yield: 79.4%

3,5-dibromopyridine (625-92-3) + methanol (67-56-1) + sodium methylate (124-41-4) → 3-bromo-5-methoxypyridine (50720-12-2)

Guidance literature:

In N,N-dimethyl-formamide; at 80 ℃; for 1.5h;

upstream raw materials:

3,5-dibromopyridine

sodium methylate

methanol

copper

Downstream raw materials:

3-(4-fluorophenylethynyl)-5-methoxypyridine

3-(4-fluoro-3-methylphenylethynyl)-5-methoxypyridine

5-methoxypyridine-3-carboxaldehyde

3-methoxy-5-pyridineboronic acid pinacol ester

Refernces

• 1、 -. "SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS". Paragraph 1793-1795. . Retrieved 2015/12/23.
• 2、 -. "Aurora Kinase Modulators and Method of Use". Paragraph 0314. . Retrieved 2014/11/27.