4-Phenyl-6-propylpyrimidine

Base Information

• Chemical Name: 4-Phenyl-6-propylpyrimidine
• CAS No.: 89967-05-5
• Molecular Formula: C13H14N2
• Molecular Weight: 198.268
• DSSTox Substance ID: DTXSID20522532
• Wikidata: Q82387881
• Mol file: 89967-05-5.mol

Synonyms:4-Phenyl-6-propylpyrimidine;89967-05-5;DTXSID20522532

Chemical Property of 4-Phenyl-6-propylpyrimidine

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.115698455
• Heavy Atom Count: 15
• Complexity: 175

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC1=CC(=NC=N1)C2=CC=CC=C2

Technology Process of 4-Phenyl-6-propylpyrimidine

There total 4 articles about 4-Phenyl-6-propylpyrimidine 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: 96.0%

2-Chloro-4-phenyl-6-propyl-pyrimidine (89967-23-7) → 4-phenyl-6-propyl-pyrimidine (89967-05-5)

Guidance literature:

With ammonium hydroxide; hydrogen; palladium on activated charcoal; In methanol;

Reference yield:

1-phenyl-1,3-hexanedione (5331-13-5) → 4-phenyl-6-propyl-pyrimidine (89967-05-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 64 percent / conc. HCl / ethanol / 48 h / Heating

2: 94 percent / phosphoryl chloride / 3 h / Heating

3: 96 percent / hydrogen/conc. ammonia / 5percent palladium charcoal / methanol

With hydrogenchloride; ammonium hydroxide; hydrogen; trichlorophosphate; palladium on activated charcoal; In methanol; ethanol;

Reference yield:

6-phenyl-4-propyl-2(1H)-pyrimidinone (90015-79-5) → 4-phenyl-6-propyl-pyrimidine (89967-05-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / phosphoryl chloride / 3 h / Heating

2: 96 percent / hydrogen/conc. ammonia / 5percent palladium charcoal / methanol

With ammonium hydroxide; hydrogen; trichlorophosphate; palladium on activated charcoal; In methanol;

upstream raw materials:

1-Chlor-1-phenyl-1-hexen-3-on

formamide

2-Chloro-4-phenyl-6-propyl-pyrimidine

1-phenyl-1,3-hexanedione

Downstream raw materials:

1-(6-Phenyl-pyrimidin-4-yl)-propan-1-one oxime

6-phenyl-4-propionylpyrimidine