Name: 2-METHANESULFONYL-4-PHENYL-PYRIMIDINE
SKU: 56734-11-3

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Basic Information

Molecular Structure:
CAS No.:	56734-11-3
Name:	2-METHANESULFONYL-4-PHENYL-PYRIMIDINE
Article Data:	3

Formula:	C₁₁H₁₀N₂O₂S
Molecular Weight:	234.27
Synonyms:	2-METHANESULFONYL-4-PHENYL-PYRIMIDINE
Density:	1.281 g/cm³
Boiling Point:	456.567 °C at 760 mmHg
Flash Point:	229.924 °C
PSA:	68.30000
LogP:	2.62790

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Specification

The 2-(Methylsulfonyl)-4-phenylpyrimidine, with the CAS registry number 56734-11-3, is also known as Pyrimidine, 2-(methylsulfonyl)-4-phenyl-. This chemical's molecular formula is C₁₁H₁₀N₂O₂S and molecular weight is 234.27. What's more, its systematic name is 2-(Methylsulfonyl)-4-phenylpyrimidine.

Physical properties of 2-(Methylsulfonyl)-4-phenylpyrimidine are: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 2.61; (6)ACD/BCF (pH 7.4): 2.61; (7)ACD/KOC (pH 5.5): 69.13; (8)ACD/KOC (pH 7.4): 69.13; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.3 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 60.5 cm³; (15)Molar Volume: 182.943 cm³; (16)Polarizability: 23.984×10^-24cm³; (17)Surface Tension: 50.0 dyne/cm; (18)Density: 1.281 g/cm³; (19)Flash Point: 229.924 °C; (20)Enthalpy of Vaporization: 68.904 kJ/mol; (21)Boiling Point: 456.567 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of 2-(Methylsulfonyl)-4-phenylpyrimidine: this chemical can be prepared by tributyl-phenyl stannane and 4-chloro-2-methylsulfonylpyrimidine at the temperature of 100 °C. This reaction will need reagent dichlorobis(triphenylphosphine)palladium(II) and solvent dimethylformamide with the reaction time of 2.5 hours. The yield is about 65%.

2-(Methylsulfonyl)-4-phenylpyrimidine can be prepared by tributyl-phenyl stannane and 4-chloro-2-methylsulfonylpyrimidine at the temperature of 100 °C

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c2nc(c1ccccc1)ccn2)C
(2)Std. InChI: InChI=1S/C11H10N2O2S/c1-16(14,15)11-12-8-7-10(13-11)9-5-3-2-4-6-9/h2-8H,1H3
(3)Std. InChIKey: YERLGIVAYFLVBH-UHFFFAOYSA-N