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CAS No.: | 59564-59-9 |
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Name: | 3,4-DIHYDRO-1H-QUINOXALIN-2-ONE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H8N2O |
Molecular Weight: | 148.164 |
Synonyms: | 2-Quinoxalinol, 3,4-dihydro-;3,4-Dihydroquinoxalin-2(1H)-one;3,4-Dihydroquinoxalin-2-ol;1,3,4-Trihydroquinoxalin-2-one;3,4-Dihydro-1h-quinoxalin-2-one;3,4-Dihydro-2(1H)-quinoxalinone; |
Density: | 1.186 g/cm3 |
Melting Point: | 140-143℃ |
Boiling Point: | 370.5 °C at 760 mmHg |
Flash Point: | 183.4 °C |
Hazard Symbols: | Xi |
PSA: | 41.13000 |
LogP: | 1.32660 |
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The 2(1H)-Quinoxalinone,3,4-dihydro-, with the CAS registry number 59564-59-9, is also known as 2-Quinoxalinol, 3,4-dihydro-. This chemical's molecular formula is C8H8N2O and molecular weight is 148.16. What's more, its IUPAC name is 3,4-dihydro-1H-quinoxalin-2-one. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.
Physical properties of 2(1H)-Quinoxalinone,3,4-dihydro- are: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1.01; (6)ACD/BCF (pH 7.4): 1.02; (7)ACD/KOC (pH 5.5): 35.02; (8)ACD/KOC (pH 7.4): 35.27; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 40.64 cm3; (15)Molar Volume: 124.8 cm3; (16)Polarizability: 16.11×10-24cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.186 g/cm3; (19)Flash Point: 183.4 °C; (20)Enthalpy of Vaporization: 61.74 kJ/mol; (21)Boiling Point: 370.5 °C at 760 mmHg; (22)Vapour Pressure: 1.1E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by N-(2-nitro-phenyl)-glycine ethyl ester. This reaction will need reagent H2 and solvent methanol with the reaction time of 1.5 hours. This reaction will also need catalyst 10 percent Pd/C. The yield is about 88%.
Uses of 2(1H)-Quinoxalinone,3,4-dihydro-: it can be used to produce 4-benzoyl-3,4-dihydro-1H-quinoxalin-2-one. It will need reagent triethylamine and solvent tetrahydrofuran with the reaction time of 30 min. The yield is about 89%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2Nc1c(cccc1)NC2
(2)Std. InChI: InChI=1S/C8H8N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-4,9H,5H2,(H,10,11)
(3)Std. InChIKey: HYTIPJFUWHYQON-UHFFFAOYSA-N