4-Iodo-6-phenylpyrimidin-5-ol

Base Information

• Chemical Name: 4-Iodo-6-phenylpyrimidin-5-ol
• CAS No.: 88467-00-9
• Molecular Formula: C10H7IN2O
• Molecular Weight: 298.083
• DSSTox Substance ID: DTXSID50524620
• Wikidata: Q82391611
• Mol file: 88467-00-9.mol

Synonyms:4-Iodo-6-phenylpyrimidin-5-ol;88467-00-9;DTXSID50524620;AKOS030261715

Chemical Property of 4-Iodo-6-phenylpyrimidin-5-ol

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 297.96031
• Heavy Atom Count: 14
• Complexity: 185

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=NC=N2)I)O

Technology Process of 4-Iodo-6-phenylpyrimidin-5-ol

There total 3 articles about 4-Iodo-6-phenylpyrimidin-5-ol 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: 72.0%

5-Hydroxy-4-phenylpyrimidine (88070-43-3) → 4-Iodo-5-hydroxy-6-phenylpyrimidine (88467-00-9)

Guidance literature:

With ammonium hydroxide; iodine; potassium iodide; In water; at 45 ℃; for 4h;

DOI:10.1007/BF00506891

Reference yield:

4-phenylpyrimidine (3438-48-0) → 4-Iodo-5-hydroxy-6-phenylpyrimidine (88467-00-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 50 percent / 1.) 40percent HBr, H₂SO₄; 2.) sodium nitrite / H₂O / 1 h / 0 - 5 °C

2: 72 percent / sodium methoxide / methanol / 8 h / 180 °C / autoclave

3: 72 percent / 10percent ammonium hydroxide, iodine, KI / H₂O / 4 h / 45 °C

With ammonium hydroxide; sulfuric acid; hydrogen bromide; iodine; sodium methylate; potassium iodide; sodium nitrite; In methanol; water;

DOI:10.1007/BF00506891

Reference yield:

5-bromo-4-phenylpyrimidine (3543-46-2) → 4-Iodo-5-hydroxy-6-phenylpyrimidine (88467-00-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / sodium methoxide / methanol / 8 h / 180 °C / autoclave

2: 72 percent / 10percent ammonium hydroxide, iodine, KI / H₂O / 4 h / 45 °C

With ammonium hydroxide; iodine; sodium methylate; potassium iodide; In methanol; water;

DOI:10.1007/BF00506891

upstream raw materials:

5-Hydroxy-4-phenylpyrimidine

4-phenylpyrimidine

5-bromo-4-phenylpyrimidine