4-Chloro-5-phenylpyrimidine

Base Information

• Chemical Name: 4-Chloro-5-phenylpyrimidine
• CAS No.: 60122-80-7
• Molecular Formula: C10H7ClN2
• Molecular Weight: 190.63
• Hs Code.: 2933599090
• European Community (EC) Number: 817-207-4
• Mol file: 60122-80-7.mol

Synonyms:4-chloro-5-phenylpyrimidine;60122-80-7;4-CHLORO-5-PHENYL-PYRIMIDINE;AKOS002664586;AT33273;SB57100;CS-0454041;EN300-112903;Z1198152679

Chemical Property of 4-Chloro-5-phenylpyrimidine

Chemical Property:

• PSA: 25.78000
• LogP: 2.79700
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.0297759
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

97% ^*data from raw suppliers

4-chloro-5-phenylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN=CN=C2Cl

Technology Process of 4-Chloro-5-phenylpyrimidine

There total 6 articles about 4-Chloro-5-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:

5-phenyl-4-pyrimidone → 4-chloro-5-phenylpyrimidine (60122-80-7)

Guidance literature:

With trichlorophosphate;

DOI:10.1021/ja004240q

Reference yield:

5-phenylpyrimidin-4(3H)-one (22433-69-8) → 4-chloro-5-phenylpyrimidine (60122-80-7)

Guidance literature:

With trichlorophosphate;

DOI:10.1039/jr9450000347

Reference yield:

4-amino-5-phenylpyrimidine (21419-05-6) → 4-chloro-5-phenylpyrimidine (60122-80-7)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous HCl

2: POCl₃

With hydrogenchloride; trichlorophosphate;

DOI:10.1039/jr9450000347

upstream raw materials:

5-phenylpyrimidin-4(3H)-one

4-amino-5-phenylpyrimidine

3-amino-2-phenyl-acrylonitrile

phenylacetonitrile

Downstream raw materials:

4-methoxy-5-phenyl-pyrimidine

5-phenylpyrimidine

5-phenyl-1,4,5,6-tetrahydropyrimidine

Refernces