2-Chloro-4,6-diphenylpyrimidine

Base Information

• Chemical Name: 2-Chloro-4,6-diphenylpyrimidine
• CAS No.: 2915-16-4
• Molecular Formula: C16H11ClN2
• Molecular Weight: 266.73
• Hs Code.: 2933599090
• European Community (EC) Number: 811-026-4
• DSSTox Substance ID: DTXSID70365198
• Nikkaji Number: J1.634.488E
• Wikidata: Q27196135
• ChEMBL ID: CHEMBL1465164
• Mol file: 2915-16-4.mol

Synonyms:2-chloro-4,6-diphenylpyrimidine;2915-16-4;Pyrimidine, 2-chloro-4,6-diphenyl-;2-chloro-4,6-diphenyl- Pyrimidine;SMR000185090;CBDivE_013562;MLS000573155;SCHEMBL782567;CHEMBL1465164;DTXSID70365198;CHEBI:114730;QNGVEVOZKYHNGL-UHFFFAOYSA-N;HMS2568E05;AMY37785;MFCD00030776;STL286650;AKOS016010262;DS-5783;SB60771;AC-27678;C3123;CS-0137520;FT-0698178;N10388;AB00076898-01;A819784;J-508719;Q27196135

Chemical Property of 2-Chloro-4,6-diphenylpyrimidine

Chemical Property:

• Vapor Pressure: 1.59E-08mmHg at 25°C
• Melting Point: 113.0 to 117.0 °C
• Refractive Index: 1.617
• Boiling Point: 469.1 °C at 760 mmHg
• PKA: -1.69±0.30(Predicted)
• Flash Point: 269.8 °C
• PSA: 25.78000
• Density: 1.221 g/cm³
• LogP: 4.46400
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 266.0610761
• Heavy Atom Count: 19
• Complexity: 246

Purity/Quality:

99.5% ^*data from raw suppliers

2-Chloro-4,6-diphenylpyrimidine ^*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=CC(=NC(=N2)Cl)C3=CC=CC=C3

Technology Process of 2-Chloro-4,6-diphenylpyrimidine

There total 14 articles about 2-Chloro-4,6-diphenylpyrimidine 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: 95.4%

2-hydroxy-4,6-diphenylpyrimidine (4120-05-2) → 2-chloro-4,6-diphenylpyrimidine (2915-16-4)

Guidance literature:

With trichlorophosphate; for 6h; Heating / reflux;

Reference yield: 88.0%

2,4,6-trichloropyrimidine (3764-01-0) + phenylboronic acid (98-80-6) → 2-chloro-4,6-diphenylpyrimidine (2915-16-4)

Guidance literature:

With palladium diacetate; sodium carbonate; triphenylphosphine; In 1,2-dimethoxyethane; at 70 ℃; for 24h;

DOI:10.1021/jo010573+

Reference yield: 85.0%

→ 2-chloro-4,6-diphenylpyrimidine (2915-16-4)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In tetrahydrofuran; water; at 70 ℃;

upstream raw materials:

4,6-diphenyl-1H-pyrimidin-2-one

2-hydroxy-4,6-diphenylpyrimidine

2,4,6-trichloropyrimidine

phenylboronic acid

Downstream raw materials:

4,6-Diphenyl-2-piperidin-1-yl-pyrimidine

(4,6-diphenyl-pyrimidin-2-yl)-ethyl-amine

(4,6-Diphenyl-pyrimidin-2-yl)-propyl-amine

N-butyl-4,6-diphenylpyrimidin-2-amine

Refernces

• 1、 Kayamba, Francis,Malimabe, Teboho,Ademola, Idowu Kehinde,Pooe, Ofentse Jacob,Kushwaha, Narva Deshwar,Mahlalela, Mavela,van Zyl, Robyn L.,Gordon, Michelle,Mudau, Pertunia T.,Zininga, Tawanda,Shonhai, Addmore,Nyamori, Vincent O.,Karpoormath, Rajshekhar. "Design and synthesis of quinoline-pyrimidine inspired hybrids as potential plasmodial inhibitors". . . Retrieved 2021/03/22.
• 2、 -. "Hole transporting material and Organic electroluminescent display device using the same". Paragraph 0071; 0081-0083. . Retrieved 2021/10/19.