Diethyl 2-(((5-bromopyridin-2-yl)amino)methylene)malonate

Base Information

• Chemical Name: Diethyl 2-(((5-bromopyridin-2-yl)amino)methylene)malonate
• CAS No.: 16867-58-6
• Molecular Formula: C₁₃H₁₅BrN₂O₄
• Molecular Weight: 343.177
• DSSTox Substance ID: DTXSID001164423
• Mol file: 16867-58-6.mol

Synonyms:16867-58-6;Diethyl 2-(((5-bromopyridin-2-yl)amino)methylene)malonate;SCHEMBL17379008;DTXSID001164423;diethyl 2-[[(5-bromopyridin-2-yl)amino]methylidene]propanedioate;CCG-234362;Diethyl2-(((5-bromopyridin-2-yl)amino)methylene)malonate;1,3-Diethyl 2-[[(5-bromo-2-pyridinyl)amino]methylene]propanedioate

Chemical Property of Diethyl 2-(((5-bromopyridin-2-yl)amino)methylene)malonate

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 342.02152
• Heavy Atom Count: 20
• Complexity: 353

Purity/Quality:

95+% ^*data from raw suppliers

Diethyl2-(((5-bromopyridin-2-yl)amino)methylene)malonate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(=CNC1=NC=C(C=C1)Br)C(=O)OCC

Technology Process of Diethyl 2-(((5-bromopyridin-2-yl)amino)methylene)malonate

There total 4 articles about Diethyl 2-(((5-bromopyridin-2-yl)amino)methylene)malonate 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: 92.0%

5-bromo-2-pyridylamine (1072-97-5) + diethyl methoxymethylenemalonate (40131-09-7) → diethyl 2-[[(5-bromo-2-pyridyl)amino]methylene]propanedioate (16867-58-6)

Guidance literature:

at 130 ℃; for 2h;

Reference yield: 75.8%

5-bromo-2-pyridylamine (1072-97-5) + diethyl 2-ethoxymethylenemalonate (87-13-8) → diethyl 2-[[(5-bromo-2-pyridyl)amino]methylene]propanedioate (16867-58-6)

Guidance literature:

at 130 ℃; for 2h;

Reference yield:

4-bromo-aniline (106-40-1) → diethyl 2-[[(5-bromo-2-pyridyl)amino]methylene]propanedioate (16867-58-6)

Guidance literature:

With diethyl 2-ethoxymethylenemalonate; In ethanol; for 4h; Reflux;

DOI:10.1080/10426507.2011.643433

upstream raw materials:

5-bromo-2-pyridylamine

diethyl 2-ethoxymethylenemalonate

4-bromo-aniline

diethyl 2-(ethoxycarbonylmethylene)malonate

Downstream raw materials:

C₁₆H₁₀BrN₅OS

C₁₇H₁₂BrN₅OS

C₁₈H₁₂BrN₅O₃S

C₁₉H₁₄BrN₅O₃S