4,6-Dichloro-2-phenylpyrimidine

Base Information

• Chemical Name: 4,6-Dichloro-2-phenylpyrimidine
• CAS No.: 3740-92-9
• Molecular Formula: C10H6Cl2N2
• Molecular Weight: 225.077
• Hs Code.: 2933599090
• NSC Number: 27713
• UNII: 53665T9BHJ
• DSSTox Substance ID: DTXSID90190843
• Nikkaji Number: J42.294K
• Wikidata: Q3068335
• ChEMBL ID: CHEMBL2447919
• Mol file: 3740-92-9.mol

Synonyms:4,6-dichloro-2-phenylpyrimidine;fenclorim

Chemical Property of 4,6-Dichloro-2-phenylpyrimidine

Chemical Property:

• Appearance/Colour: white to off-white solid
• Vapor Pressure: 0.0762mmHg at 25°C
• Melting Point: 92-93 °C
• Refractive Index: 1.604
• Boiling Point: 235.549 °C at 760 mmHg
• PKA: -4.69±0.30(Predicted)
• Flash Point: 118.945 °C
• PSA: 25.78000
• Density: 1.363 g/cm³
• LogP: 3.45040
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Sparingly)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 223.9908036
• Heavy Atom Count: 14
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

Fenclorim ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20-43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,6-Dichloro-2-phenylpyrimidine

There total 13 articles about 4,6-Dichloro-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: 95.0%

2-Phenyl-4,6-dihydroxy-pyrimidine (13566-71-7) → fenclorim (3740-92-9)

Guidance literature:

In trichlorophosphate;

Reference yield: 86.06%

6-hydroxy-2-phenyl-[3H]-pyrimidin-4-one (13566-71-7) → fenclorim (3740-92-9)

Guidance literature:

With trichlorophosphate; at 110 ℃; for 3h;

Reference yield: 69.0%

2-Amino-4,6-dichloropyrimidine (56-05-3) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → fenclorim (3740-92-9)

Guidance literature:

With copper(I) oxide; isopentyl nitrite; for 3h; Heating;

DOI:10.1016/j.ejmech.2005.03.019

upstream raw materials:

2-phenyl-1H-pyrimidine-4,6-dione

N,N-dimethyl-aniline

2-Phenyl-4,6-dihydroxy-pyrimidine

2-Amino-4,6-dichloropyrimidine

Downstream raw materials:

4-aziridin-1-yl-6-chloro-2-phenyl-pyrimidine

4,6-bis(pyrazol-1-yl)-2-phenylpyrimidine

4,6-bis[6'-(5''-aminopyrazin-2''-yl)pyrid-2'-yl]-2-phenylpyrimidine

4,6-bis(1-methylhydrazinyl)-2-phenyl-1-pyrimidine

Refernces

• 1、 Napiera?a, Sergiusz,Kubicki, Maciej,Patroniak, Violetta,Wa??sa-Chorab, Monika. "Electropolymerization of [2 × 2] grid-type cobalt(II) complex with thiophene substituted dihydrazone ligand". . . Retrieved 2021/01/12.
• 2、 Sambaiah,Mallesham, Poosa,Shiva Kumar,Bobde, Yamini,Hota, Prasanta Kumar,Yennam, Satyanarayana,Ghosh, Balaram,Behera, Manoranjan. "Tandem Schiff-Base Formation/Heterocyclization: An Approach to the Synthesis of Fused Pyrazolo-Pyrimidine/Isoxazolo-Pyrimidine Hybrids". . p. 586 - 592. Retrieved 2019/03/07.