2-(4-Nitrophenoxy)pyrimidine

Base Information

• Chemical Name: 2-(4-Nitrophenoxy)pyrimidine
• CAS No.: 181801-29-6
• Molecular Formula: C₁₀H₇N₃O₃
• Molecular Weight: 217.184
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID30361015
• Wikidata: Q82143098
• Mol file: 181801-29-6.mol

Synonyms:2-(4-nitrophenoxy)pyrimidine;181801-29-6;2-{4-nitrophenoxy}pyrimidine;C10H7N3O3;HMS2804D22;MLS001181032;DTXSID30361015;Pyrimidine, 2-(4-nitrophenoxy)-;AKOS015833426;DS-0240;SB58907;SMR000476424;CS-0448627;A880969;AI-204/31714049;Z53861200

Chemical Property of 2-(4-Nitrophenoxy)pyrimidine

Chemical Property:

• Vapor Pressure: 1.3E-06mmHg at 25°C
• Boiling Point: 411.7ºC at 760 mmHg
• Flash Point: 202.8ºC
• PSA: 80.83000
• Density: 1.371g/cm3
• LogP: 2.70030
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 217.04874109
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Nitrophenoxy)pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(N=C1)OC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 2-(4-Nitrophenoxy)pyrimidine

There total 1 articles about 2-(4-Nitrophenoxy)pyrimidine 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:

2-chloropyrimidine (1722-12-9,1195939-87-7) + 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 4-(pyrimidin-2-yloxy)aniline (181801-29-6)

Guidance literature:

4-nitro-phenol; With sodium t-butanolate; In N,N-dimethyl-formamide; at 20 ℃; for 1h; Inert atmosphere;

2-chloropyrimidine; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

Reference yield:

4-(pyrimidin-2-yloxy)aniline (181801-29-6) → 2-[4-(2-pyrimidyloxy)anilino]acetic acid ethyl ester

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium chloride; iron / ethanol; water / 1 h / Reflux

2: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 100 °C

With iron; potassium carbonate; ammonium chloride; potassium iodide; In ethanol; water; N,N-dimethyl-formamide;

upstream raw materials:

2-chloropyrimidine

4-nitro-phenol

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