4-Chloro-2-phenylpyrimidine

Base Information

• Chemical Name: 4-Chloro-2-phenylpyrimidine
• CAS No.: 14790-42-2
• Molecular Formula: C10H7 Cl N2
• Molecular Weight: 190.632
• Hs Code.: 2933599090
• European Community (EC) Number: 840-726-2
• NSC Number: 88809
• DSSTox Substance ID: DTXSID70293341
• Nikkaji Number: J526.232A
• Wikidata: Q82032038
• Mol file: 14790-42-2.mol

Synonyms:4-Chloro-2-phenylpyrimidine;14790-42-2;4-CHLORO-2-PHENYL-PYRIMIDINE;Pyrimidine, 4-chloro-2-phenyl-;MFCD00234601;NSC88809;NCIOpen2_001531;4-Chloro-2-phenylpyrimidine #;SCHEMBL1673203;DTXSID70293341;HMS1580F02;BCP26515;NSC-88809;STL451527;AKOS009844452;PB24644;DS-15752;SY009911;AM20030010;CS-0045712;FT-0684913;EN300-65850;P10113;W-205670;Acetamide, N-[1,1'-biphenyl]-4-yl-2,2,2-trichloro-;Z445153102

Chemical Property of 4-Chloro-2-phenylpyrimidine

Chemical Property:

• Vapor Pressure: 0.242mmHg at 25°C
• Melting Point: 73-74℃
• Boiling Point: 213.2°Cat760mmHg
• PKA: -0.38±0.20(Predicted)
• Flash Point: 102.8°C
• PSA: 25.78000
• Density: 1.245g/cm³
• LogP: 2.79700
• Storage Temp.: Inert atmosphere,Room Temperature
• 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-2-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=NC=CC(=N2)Cl

Technology Process of 4-Chloro-2-phenylpyrimidine

There total 9 articles about 4-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: 83.0%

2-phenyl-4-methoxypyrimidine (33630-20-5) → 4-chloro-2-phenylpyrimidine (14790-42-2)

Guidance literature:

2-phenyl-4-methoxypyrimidine; With hydrogenchloride; for 12h; Heating;

With trichlorophosphate; for 3h; Heating;

DOI:10.1016/j.tetlet.2006.04.082

Reference yield: 77.0%

2-phenyl-4-hydroxypyrimidine (33643-94-6,127892-81-3) → 4-chloro-2-phenylpyrimidine (14790-42-2)

Guidance literature:

With trichlorophosphate; at 80 ℃; for 4h;

DOI:10.1002/cmdc.201700243

Reference yield: 76.0%

4-oxo-2-phenyl-3,4-dihydropyrimidine (33643-94-6) → 4-chloro-2-phenylpyrimidine (14790-42-2)

Guidance literature:

With trichlorophosphate; for 3h; Heating / reflux;

upstream raw materials:

4-oxo-2-phenyl-3,4-dihydropyrimidine

phosphorus pentachloride

2-phenyl-4-methoxypyrimidine

phenylboronic acid

Downstream raw materials:

2-phenylpyrimidine

4-amino-2-phenylpyrimidine

(2-phenyl-pyrimidin-4-yl)-hydrazine

4-azido-2-phenylpyrimidine