4-Chloro-2-(4-chlorophenyl)-6-methylpyrimidine

Base Information

• Chemical Name: 4-Chloro-2-(4-chlorophenyl)-6-methylpyrimidine
• CAS No.: 66744-01-2
• Molecular Formula: C11H8Cl2N2
• Molecular Weight: 239.10100
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID30589792
• Wikidata: Q82483378
• Mol file: 66744-01-2.mol

Synonyms:4-chloro-2-(4-chlorophenyl)-6-methylpyrimidine;66744-01-2;DTXSID30589792;STL015869;AKOS000284116

Chemical Property of 4-Chloro-2-(4-chlorophenyl)-6-methylpyrimidine

Chemical Property:

• PSA: 25.78000
• LogP: 3.75880
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 238.0064537
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

4-CHLORO-2-(4-CHLOROPHENYL)-6-METHYLPYRIMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)C2=CC=C(C=C2)Cl)Cl

Technology Process of 4-Chloro-2-(4-chlorophenyl)-6-methylpyrimidine

There total 4 articles about 4-Chloro-2-(4-chlorophenyl)-6-methylpyrimidine 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:

4-chlorobenzamidine hydrochloride (14401-51-5) → 4-chloro-2-(4-chlorophenyl)-6-methylpyrimidine (66744-01-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous NaOH

2: POCl₃

With sodium hydroxide; trichlorophosphate;

DOI:10.1039/jr9460000362

Reference yield:

4-Cyanochlorobenzene (623-03-0) → 4-chloro-2-(4-chlorophenyl)-6-methylpyrimidine (66744-01-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium methylate / methanol / 20 °C

1.2: 20 - 60 °C

2.1: trichlorophosphate / 80 °C

With sodium methylate; trichlorophosphate; In methanol;

DOI:10.1016/j.bmc.2012.02.006

Reference yield:

→ 4-chloro-2-(4-chlorophenyl)-6-methylpyrimidine (66744-01-2)

Guidance literature:

2--6-methyl-(3H)-4-pyrimidon(Vg), POCl3;

upstream raw materials:

2-(4-chlorophenyl)-6-methylpyrimidin-4-one

4-chlorobenzamidine hydrochloride

4-Cyanochlorobenzene

Downstream raw materials:

2-(4-chlorophenyl)-6-methyl-N-[2-(1-oxidopyridin-3-yl)ethyl]pyrimidin-4-amine

Refernces

• 1、 Negoro, Kenji,Yonetoku, Yasuhiro,Misawa-Mukai, Hana,Hamaguchi, Wataru,Maruyama, Tatsuya,Yoshida, Shigeru,Takeuchi, Makoto,Ohta, Mitsuaki. "Discovery and biological evaluation of novel 4-amino-2-phenylpyrimidine derivatives as potent and orally active GPR119 agonists". . p. 5235 - 5246. Retrieved 2012/11/07.