5-Nitro-2-phenyl-4-pyrimidinamine

Base Information

• Chemical Name: 5-Nitro-2-phenyl-4-pyrimidinamine
• CAS No.: 84928-86-9
• Molecular Formula: C10H8N4O2
• Molecular Weight: 216.199
• DSSTox Substance ID: DTXSID901298893
• Nikkaji Number: J2.136.612I
• Mol file: 84928-86-9.mol

Synonyms:SCHEMBL2071618;DTXSID901298893;5-Nitro-2-phenyl-4-pyrimidinamine;84928-86-9

Chemical Property of 5-Nitro-2-phenyl-4-pyrimidinamine

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 216.06472551
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-Nitro-2-phenyl-4-pyrimidinamine

There total 2 articles about 5-Nitro-2-phenyl-4-pyrimidinamine 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: 90.0%

4-amino-2-chloro-5-nitropyrimidine (1920-66-7) + phenylboronic acid (98-80-6) → 2-phenyl-4-amino-5-nitropyrimidine (84928-86-9)

Guidance literature:

With potassium phosphate; 1,1'-bis(di-tertbutylphosphino)ferrocene; palladium diacetate; In 1,4-dioxane; for 4h; Heating;

DOI:10.1002/adsc.200404159

Reference yield: 50.0%

2-phenyl-5-nitropyrimidine (68906-00-3) → 2-phenyl-4-amino-5-nitropyrimidine (84928-86-9)

Guidance literature:

With potassium permanganate; ammonia; at -33 ℃; for 0.25h;

DOI:10.1021/jo00156a042

Reference yield: 85.0%

2-phenyl-4-amino-5-nitropyrimidine (84928-86-9) → 4,5-diamino-2-phenylpyrimidine hydrochloride

Guidance literature:

2-phenyl-4-amino-5-nitropyrimidine; With hydrogen; palladium on activated charcoal; In 1,2-dimethoxyethane; at 40 ℃; for 5h; under 750.06 - 1125.09 Torr;

With hydrogenchloride; In methanol; 1,2-dimethoxyethane; ethyl acetate; at 20 ℃; for 1.5h;

DOI:10.1002/adsc.200404159

upstream raw materials:

2-phenyl-5-nitropyrimidine

4-amino-2-chloro-5-nitropyrimidine

phenylboronic acid