4,6-Dichloro-5-nitro-2-phenylpyrimidine

Base Information

• Chemical Name: 4,6-Dichloro-5-nitro-2-phenylpyrimidine
• CAS No.: 68921-91-5
• Molecular Formula: C10H5Cl2N3O2
• Molecular Weight: 270.075
• European Community (EC) Number: 272-967-9
• NSC Number: 338189
• DSSTox Substance ID: DTXSID9071842
• Nikkaji Number: J332.723J
• Wikidata: Q81999653
• Mol file: 68921-91-5.mol

Synonyms:4,6-Dichloro-5-nitro-2-phenylpyrimidine;68921-91-5;Pyrimidine, 4,6-dichloro-5-nitro-2-phenyl-;EINECS 272-967-9;NSC338189;4,6-Dichloro-5-nitro-2-phenyl-pyrimidine;C10H5Cl2N3O2;SCHEMBL7216241;DTXSID9071842;C10-H5-Cl2-N3-O2;NSC 338189;NSC-338189;Pyrimidine,6-dichloro-5-nitro-2-phenyl-;CS-0454907

Chemical Property of 4,6-Dichloro-5-nitro-2-phenylpyrimidine

Chemical Property:

• Vapor Pressure: 0.00213mmHg at 25°C
• Boiling Point: 299.3°Cat760mmHg
• Flash Point: 134.8°C
• Density: 1.526g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 268.9758818
• Heavy Atom Count: 17
• Complexity: 269

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=C(C(=N2)Cl)[N+](=O)[O-])Cl

Technology Process of 4,6-Dichloro-5-nitro-2-phenylpyrimidine

There total 9 articles about 4,6-Dichloro-5-nitro-2-phenylpyrimidine 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: 75.0%

2-Phenyl-5-nitro-4,6-dihydroxy-pyrimidine (68905-99-7) → 2-Phenyl-5-nitro-4,6-dichloro-pyrimidine (68921-91-5)

Guidance literature:

With diethylamine; trichlorophosphate; at 80 ℃; for 1h;

Reference yield:

2-Phenyl-4,6-dihydroxy-pyrimidine (13566-71-7) → 2-Phenyl-5-nitro-4,6-dichloro-pyrimidine (68921-91-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / 90percent HNO₃ / 1 h / Ambient temperature

2: 75 percent / POCl₃, diethylamine / 1 h / 80 °C

With nitric acid; diethylamine; trichlorophosphate;

Reference yield:

benzamidine monohydrochloride (1670-14-0) → 2-Phenyl-5-nitro-4,6-dichloro-pyrimidine (68921-91-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 73.6 percent / EtONa / ethanol / 3 h / Heating

2: 70 percent / 90percent HNO₃ / 1 h / Ambient temperature

3: 75 percent / POCl₃, diethylamine / 1 h / 80 °C

With nitric acid; sodium ethanolate; diethylamine; trichlorophosphate; In ethanol;

upstream raw materials:

2-phenyl-1H-pyrimidine-4,6-dione

2-Phenyl-5-nitro-4,6-dihydroxy-pyrimidine

benzamidine monohydrochloride

2-Phenyl-4,6-dihydroxy-pyrimidine

Downstream raw materials:

4,6-bis-aziridin-1-yl-5-nitro-2-phenyl-pyrimidine

5-amino-4,6-dichloro-2-phenylpyrimidine

C₂₂H₃₃N₇O₂

C₂₃H₃₁N₇O₃