5-Chloro-2-phenylpyrimidine

Base Information

• Chemical Name: 5-Chloro-2-phenylpyrimidine
• CAS No.: 34771-50-1
• Molecular Formula: C10H7ClN2
• Molecular Weight: 190.632
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID20373122
• Wikidata: Q82161292
• Mol file: 34771-50-1.mol

Synonyms:5-chloro-2-phenylpyrimidine;34771-50-1;SCHEMBL13364715;Pyrimidine, 5-chloro-2-phenyl-;DTXSID20373122;AKOS004910180;SB55826

Chemical Property of 5-Chloro-2-phenylpyrimidine

Chemical Property:

• Melting Point: 96 °C
• Boiling Point: 211.6±23.0 °C(Predicted)
• PKA: -0.39±0.22(Predicted)
• PSA: 25.78000
• Density: 1.245±0.06 g/cm3(Predicted)
• LogP: 2.79700
• Storage Temp.: 2-8°C
• 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: 149

Purity/Quality:

98%min ^*data from raw suppliers

5-Chloro-2-phenylpyrimidine 95+% ^*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=NC=C(C=N2)Cl

Technology Process of 5-Chloro-2-phenylpyrimidine

There total 5 articles about 5-Chloro-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: 27.0%

5-chloro-2-iodopyrimidine (874676-81-0) + phenylboronic acid (98-80-6) → 5-chloro-2-phenylpyrimidine (34771-50-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,4-dioxane; water; at 80 ℃; for 24h; Inert atmosphere;

DOI:10.1021/jacs.1c06481

Reference yield:

→ 5-chloro-2-phenylpyrimidine (34771-50-1)

Guidance literature:

at 170 ℃;

Reference yield:

2-chloromalonaldehyde (36437-19-1) + benzamidine monohydrochloride (1670-14-0) → 5-chloro-2-phenylpyrimidine (34771-50-1)

Guidance literature:

With sodium hydroxide;

DOI:10.1039/jr9510002323

upstream raw materials:

2-chloromalonaldehyde

benzamidine monohydrochloride

5-chloro-2-phenyl-pyrimidine-4-carboxylic acid

5-chloro-2-iodopyrimidine

Downstream raw materials:

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

2-phenylpyrimidine

2-(3-nitrophenyl)pyrimidine

5-chloro-2-m-nitrophenylpyrimidine

Refernces

• 1、 Wagner,Jutz. "Reaction of binylogous formamidinium salts with nucleophiles. I. A variance of the pyrimidine synthesis". . p. 2975 - 2983. Retrieved 2007/10/04.