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4(3H)-Pyrimidinone,6-hydroxy-2,5-diphenyl-

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Name

4(3H)-Pyrimidinone,6-hydroxy-2,5-diphenyl-

EINECS N/A
CAS No. 29133-86-6 Density 1.26 g/cm3
PSA 66.24000 LogP 3.22180
Solubility N/A Melting Point >300 °C
Formula C16H12N2O2 Boiling Point 360.2 °C at 760 mmHg
Molecular Weight 264.283 Flash Point 171.6 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 29133-86-6 (2,5-DIPHENYL-4,6-PYRIMIDINEDIOL) Hazard Symbols IrritantXi
Synonyms

4,6-Pyrimidinediol, 2,5-diphenyl- (8CI);4(1H)-Pyrimidinone,6-hydroxy-2,5-diphenyl- (9CI);

Article Data 2

4(3H)-Pyrimidinone,6-hydroxy-2,5-diphenyl- Specification

The 4(3H)-Pyrimidinone,6-hydroxy-2,5-diphenyl-, with the CAS registry number 29133-86-6, is also known as 6-Hydroxy-2,5-diphenyl-3-hydropyrimidin-4-one. This chemical's molecular formula is C16H12N2O2 and molecular weight is 264.28. What's more, its systematic name is called 6-Hydroxy-2,5-diphenylpyrimidin-4(3H)-one.

Physical properties about 4(3H)-Pyrimidinone,6-hydroxy-2,5-diphenyl- are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/BCF (pH 5.5): 3.35; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 49.75; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 41.9 Å2; (12)Index of Refraction: 1.653; (13)Molar Refractivity: 76.44 cm3; (14)Molar Volume: 208.6 cm3; (15)Surface Tension: 51.3 dyne/cm; (16)Density: 1.26 g/cm3; (17)Flash Point: 171.6 °C; (18)Enthalpy of Vaporization: 62.98 kJ/mol; (19)Boiling Point: 360.2 °C at 760 mmHg; (20)Vapour Pressure: 1.09E-05 mmHg at 25 °C.

Preparation of 4(3H)-Pyrimidinone,6-hydroxy-2,5-diphenyl-: this chemical can be prepared by Phenylmalonsaeurediphenylester with N-tert.-Butylbenzamidin. This reaction needs reagent bis-(2-methoxy-ethyl) ether at temperature of 80 °C. The reaction time is 10 hours. The yield is 89 %.

4(3H)-Pyrimidinone,6-hydroxy-2,5-diphenyl- can be prepared by Phenylmalonsaeurediphenylester with N-tert.-Butylbenzamidin.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2/C(=C(/O)\N=C(\c1ccccc1)N2)c3ccccc3
(2) InChI: InChI=1/C16H12N2O2/c19-15-13(11-7-3-1-4-8-11)16(20)18-14(17-15)12-9-5-2-6-10-12/h1-10H,(H2,17,18,19,20)
(3) InChIKey: XYXQJMOZTJTMBV-UHFFFAOYAO

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