CAS No.5057-12-5,4,6,7,8-TETRAHYDRO-1H,3H-QUINOLINE-2,5-DIONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5057-12-5
Name:	4,6,7,8-TETRAHYDRO-1H,3H-QUINOLINE-2,5-DIONE
Article Data:	5

Formula:	C₉H₁₁NO₂
Molecular Weight:	165.19
Synonyms:	3,4,5,6,7,8-Hexahydrocarbostyril-5-one;NSC 160504;1,3,4,6,7,8-hexahydroquinoline-2,5-dione;4,6,7,8-Tetrahydro-2,5(1H,3H)-quinolinedione;4,6,7,8-Tetrahydroquinoline-2,5(1H,3H)-dione;
Density:	1.22 g/cm³
Melting Point:	196-198 °C
Boiling Point:	411.4 °C at 760 mmHg
Flash Point:	197.2 °C
Hazard Symbols:	Xi
PSA:	46.17000
LogP:	1.23230

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Specification

The 2,5(1H,3H)-Quinolinedione,4,6,7,8-tetrahydro-, with the CAS registry number 5057-12-5, is also known as 4,6,7,8-Tetrahydro-2,5(1H,3H)-quinolinedione. This chemical's molecular formula is C₉H₁₁NO₂ and molecular weight is 165.19. What's more, its IUPAC name is 1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Physical properties of 2,5(1H,3H)-Quinolinedione,4,6,7,8-tetrahydro- are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.86; (8)ACD/KOC (pH 7.4): 32.86; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 42.96 cm³; (15)Molar Volume: 135 cm³; (16)Polarizability: 17.03×10^-24cm³; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.22 g/cm³; (19)Flash Point: 197.2 °C; (20)Enthalpy of Vaporization: 66.39 kJ/mol; (21)Boiling Point: 411.4 °C at 760 mmHg; (22)Vapour Pressure: 5.6E-07 mmHg at 25°C.

Preparation of 2,5(1H,3H)-Quinolinedione,4,6,7,8-tetrahydro-: this chemical can be prepared by 3-amino-cyclohex-2-enone and acrylic acid at the temperature of 140 °C. The reaction time is 3 hours. The yield is about 95%.

2,5(1H,3H)-Quinolinedione,4,6,7,8-tetrahydro- can be prepared by 3-amino-cyclohex-2-enone and acrylic acid at the temperature of 140 °C

Uses of 2,5(1H,3H)-Quinolinedione,4,6,7,8-tetrahydro-: it can be used to produce 5-hydroxy-1H-quinolin-2-one by heating. It will need reagent solvent decahydronaphthalene with the reaction time of 24 hours. This reaction will also need catalyst 10% Pd-C. The yield is about 81%.

2,5(1H,3H)-Quinolinedione,4,6,7,8-tetrahydro- can be used to produce 5-hydroxy-1H-quinolin-2-one by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC2=C(CCC(=O)N2)C(=O)C1
(2)InChI: InChI=1S/C9H11NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h1-5H2,(H,10,12)
(3)InChIKey: KNRFNTVMEIIKEB-UHFFFAOYSA-N