2-(Methylsulfonyl)-4-phenylpyrimidine

Base Information

• Chemical Name: 2-(Methylsulfonyl)-4-phenylpyrimidine
• CAS No.: 56734-11-3
• Molecular Formula: C11H10N2O2S
• Molecular Weight: 234.27
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID50377618
• Wikidata: Q82166896
• Mol file: 56734-11-3.mol

Synonyms:2-(methylsulfonyl)-4-phenylpyrimidine;56734-11-3;2-METHANESULFONYL-4-PHENYL-PYRIMIDINE;2-methylsulfonyl-4-phenylpyrimidine;2-methanesulfonyl-4-phenylpyrimidine;SCHEMBL4447801;DTXSID50377618;YERLGIVAYFLVBH-UHFFFAOYSA-N;MFCD06496101;AKOS005078176;11L-534S;CS-0358850;A848244;2-Methanesulfonyl-4-phenyl-pyrimidine;(2S,2R)-1-(2-N-BOC-AMINO-2-PHENYL-ACETYL)-AZETIDINE-2-CARBOXYLICACID

Chemical Property of 2-(Methylsulfonyl)-4-phenylpyrimidine

Chemical Property:

• Boiling Point: 456.567 °C at 760 mmHg
• Flash Point: 229.924 °C
• PSA: 68.30000
• Density: 1.281 g/cm³
• LogP: 2.62790
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 234.04629874
• Heavy Atom Count: 16
• Complexity: 317

Purity/Quality:

97% ^*data from raw suppliers

2-Methanesulfonyl-4-phenyl-pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=NC=CC(=N1)C2=CC=CC=C2

Technology Process of 2-(Methylsulfonyl)-4-phenylpyrimidine

There total 3 articles about 2-(Methylsulfonyl)-4-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: 65.0%

tributylphenylstannane (960-16-7) + 4-chloro-2-methanesulfonylpyrimidine (97229-11-3) → 2-methanesulphonyl-4-phenylpyrimidine (56734-11-3)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; In N,N-dimethyl-formamide; at 100 ℃; for 2.5h;

Reference yield:

2-(methylsulfanyl)-4-phenylpyrimidine (56734-10-2) → 2-methanesulphonyl-4-phenylpyrimidine (56734-11-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane;

Reference yield:

→ 2-methanesulphonyl-4-phenylpyrimidine (56734-11-3)

Guidance literature:

2-Methylthio-4-phenylpyrimidin, Chlor;

upstream raw materials:

tributylphenylstannane

4-chloro-2-methanesulfonylpyrimidine

2-(methylsulfanyl)-4-phenylpyrimidine

Downstream raw materials:

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